Celestolide

244.37

244.37

236-114-4

E1HM68Q21P

DTXSID9044536

Almost white crystals|Solid

2914399090

17.1

5

Solid

0.957±0.06 g/cm3(Predicted)

77.2-77.9 °C

117°C/0.6mmHg(lit.)

125.5±19.8 °C

1.509

In water, 0.015 mg/L

Refrigerator

1.50X10-4 mm Hg (0.020 Pa)

Both the acute oral LD 50 value in rats and the acute dermal LD 50 value in rabbits exceeded 5 g/kg

Musky, sweet, animal odor

Solvent-like with a dirty, musty brown, earthy nuance

Henry's Law constant = 1.78X10-2 atm-cu m/mol (1801 Pa)

Light-stable|Hydroxyl radical reaction rate constant = 7.44X10-12 cu cm/molec-sec at 25 °C (est)

1

R36/37/38:Irritating to eyes, respiratory system and skin .

S24/25-S22-S36-S26

TL6809000

Xi

P273, P391, P501

H400

SRP: Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in air, soil or water; effects on animal, aquatic and plant life; and conformance with environmental and public health regulations. If it is possible or reasonable use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination.

Not Classified

The typical reported effluent concentration for acetyl tert-butyl dimethylindan into Lake Michigan was 110 ng/L in the dissolved phase. Sampling was conducted during June 1999 and May 2000(1). Average influent/effluent concentrations where 6.54/0.62 ug/L for a cosmetic plant located in HuangPu industrial park in GuangZhou, China, sampled from Nov 15-22, 2004. The average concentrations in primary and secondary sludge from the plant were 2.03 and 3.07 mg/kg dry weight, respectively(2). Acetyl tert-butyl dimethylindan concentrations ranged from 4-19 ng/L and 2-8 ng/L in sewage treatment plant effluents from Canada (Nova Scotia, New Brunswick) and Sweden (Uppsala, Vastra, Gavleborg), sampled in Jan 2002 and Jun-Dec, 2002, respectively(3). Acetyl tert-butyl dimethylindan was present in influent at concentration of <10 ng/L six UK sewage treatment works surveyed in late autumn and early winter 2001. One outlier influent concentration of 440 ng/L was reported(4). Acetyl tert-butyl dimethylindan was not detected in influent samples to a waste water treatment plant in Lubbock, TX. Samples collected from winter 2009 to winter 2010; detection limit = 4 ng/L(5).

SEDIMENT: Acetyl tert-butyl dimethylindan was present in several of 13 samples from sites along the Haihe River in North China, collected from Dec 29-30, 2008(1). A dry-weight surface concentration of 0.10 ng/g, corresponding to a loading of 0.30 kg/yr, was reported in sediment cores from Lake Ontario (Toronto, Ontario, Canada; Rochester, NY) and Lake Erie (Cleveland, OH; Buffalo, NY), sampled during Aug 7-13, 2003(2). A median concentration of 100 ng/g dry weight has been reported in suspended sediments from the Molgora River (Lombardia Region, Northern Italy), sampled in 2010/2011. A concentration of 16 ng/g dry weight was reported in suspended sediments from the Elbe River, Germany, sampled in 1997(3). Acetyl tert-butyl dimethylindan was reported at a concentration <0.03 ug/kg dry weight in sediments from the Prachatice, Brohl and Pacov streams, Czech Republic. Samples were collected upstream and downstream from sewage treatment plants in 2009(4).|SEDIMENT: Synthetic musks, including acetyl tert-butyl dimethylindan, were detected in sediment cores from Lake Oberaar, Switzerland, a glacier-fed Alpine lake, sampled in 2006. Core analysis revealed peak musk deposition occurring in 1960s-1970s, low levels in 1980s-1990s, and a second peak beginning in the late 1990s. Presence in glacial melt water is thought to be the result of atmospheric deposition(1). /Musks/

URBAN/SUBURBAN: Acetyl tert-butyl dimethylindan was present in the gas-phase in Milwaukee, WI air samples at a concentration of 0.19 ng/cu m, sampled in June, 2001(1).|RURAL/REMOTE: Acetyl tert-butyl dimethylindan was present in the gas-phase over Lake Michigan at a concentration of 0.042 ng/cu m, sampled during June 1999 and May 2000(1).

Acetyl tert-butyl dimethylindan concentration in dust samples from barbershops, bathhouses, dormitories, and households in Tianjin, China, collected during April and July, 2012 and tested for synthetic musks; detection limit = 0.30 ng/g(1).[Table#8476]

IDENTIFICATION AND USE: Acetyl tert-butyl dimethylindan (Celestolide) is a synthetic polycyclic musk fragrance. It is used for perfuming soap and cosmetics. HUMAN STUDIES: Celestolide revealed no genotoxicity in the micronucleus test with human lymphocytes and with the human hepatoma cell line Hep G2. Celestolide did not activate estrogenic responses in concentrations up to 10(-5) M when tested in three reporter cell lines: HELN, HELN ERalpha, and HELN ERbeta. ANIMAL STUDIES: Celestolide tested negative for mutagenicity using the Salmonella/mammalian-microsome assay with Salmonella typhimurium strains TA97, TA98, TA100 and TA102 in the presence and absence of metabolic activation. ECOTOXICITY STUDIES: Celestolide strongly inhibited larval development in Acartia tonsa.

/AQUATIC SPECIES/ Synthetic musks are widely used as perfuming agents in products, such as cosmetics, detergents, and soaps. The increased detection of these substances in the aquatic environment and their high bioconcentration potential raises concerns about potential effects on aquatic species. This work aimed at assessing the interactions of the most widely used musks: nitromusks (musk xylene, musk ketone) and polycyclic musks (celestolide, galaxolide, and tonalide) with fish enzymatic systems involved in both xenobiotic and endogenous metabolism. Therefore, CYP catalyzed pathways were investigated in carp liver microsomes (CYP1A, CYP3A), ovarian microsomes (CYP19) and testicular mitochondria (CYP17 and CYP11beta) using standard substrates. Phase II activities (UDP-glucuronosyltransferases and sulfotransferases) were determined in carp liver microsomes and cytosol, respectively. Polycyclic musks (galaxolide and tonalide) were stronger inhibitors of CYP3A- (IC(50): 68-74 uM), CYP17- (IC(50): 213-225 uM), CYP11beta- and CYP19-catalyzed activities than nitromusks, while the latter showed higher ability to interfere with CYP1A (IC(50): 35-37 uM). The sulfation of estradiol was also significantly inhibited by tonalide and galoxolide (IC(50): 140-294 uM). Overall, polycyclic musks showed the highest potential to interfere with those activities involved in the synthesis and metabolism of steroids while nitromusks mainly interfered with xenobiotic metabolism (CYP1A-catalyzed reactions). The obtained data suggest that CYP isoforms are potentially sensitive targets of synthetic musk substances in fish.|/AQUATIC SPECIES/ This study demonstrates the effects of synthetic polycyclic musks such as Galaxolide (HHCB), Tonalide (AHTN), Traseolide (ATII), Celestolide (ADBI), Phantolide (AHMI) and Cashmeran (DPMI), both on the early life stage and on gene expression in the livers of male medaka (Oryzias latipes). The toxicity ranking (the 96-hr median lethal concentration) of the chemicals tested on 24-hr-old medaka larvae descended in the order HHCB (0.95 mg/L)=ATII (0.95 mg/L)>AHTN (1.0 mg/L)>AHMI (1.2 mg/L)>ADBI (2.0 mg/L)>>DPMI (12 mg/L), indicating high acute toxicity of these compounds on the early life stages of medaka. Expression analysis of hepatic vitellogenin (VTG) protein showed potential estrogenic effects upon the addition of AHTN and HHCB, indicative of the induction of VTG synthesis in the livers of male medaka. ...mRNA expression levels of two estrogen receptor (ER) subtypes (ERalpha and beta), two VTGs (VTG I and II), pregnane X receptor (PXR), and two cytochromes P450 (CYP) 3As (CYP3A38 and 3A40) in the livers of male medaka treated with AHTN and HHCB at 5, 50 and 500 ug/L /were also investigated/. Quantitative real-time PCR analyses revealed that hepatic ERalpha, VTG I, VTG II, and CYP3A40 mRNA responded to 500 ug/L of AHTN and/or HHCB after 3 days exposure, whereas no effects of these compounds on ERbeta, PXR, and CYP3A38 mRNA transcription were observed. These results suggest that certain polycyclic musks, including AHTN and HHCB, induce the expression levels of hepatic ERalpha and VTG mRNA/protein and modulate expression levels of CYP3A40 mRNA in the livers of male medaka.|/AQUATIC SPECIES/ ...Interactions of nitromusk compounds musk ketone and musk xylene and polycyclic musks Galaxolide trade mark (HHCB), Celestolide trade mark (ADBI), Tetralide trade mark (AHTN), and Traseolide trade mark (AITI) with multixenobiotic resistance (mxr) transporters /were studied/ in gill tissue of the marine mussel Mytilus californianus. A competitive substrate transport test with rhodamine B was used to assay modulation of transport activity by musks. All tested musks inhibited the transport activity in the low microm range as indicated by increased accumulation of rhodamine B in the tissue. Compared to known substrates of mxr transporters, the effective concentration range was similar to quinidine and about 100 times higher than verapamil. Musk ketone and musk xylene also inhibited efflux of rhodamine B from gill tissue which was loaded with the dye and subsequently incubated with these compounds. Synthetic musk compounds are persistent environmental pollutants in aquatic environments with a high potential to bioaccumulate. As potent inhibitors of mxr transporters they may also play a role as chemosensitizers that enable toxic mxr substrates to accumulate in cells of aquatic organisms.|/AQUATIC SPECIES/ A nitro musk (musk ketone) and three polycyclic musks (Tonalide, Galaxolide and Celestolide) were tested for acute and subchronic effects on a marine crustacean, the calanoid copepod Acartia tonsa. Sublethal effects on A. tonsa larvae were investigated with a rapid and cost effective bioassay, which is based on the easily detectable morphological change from the last nauplius to the first copepodite stage during copepod larval development. The inhibition of larval development after 5 days exposure was a very sensitive endpoint, with 5-day-EC(50)-values as low as 0.026 mg/L (Tonalide), 0.059 mg/L (Galaxolide), 0.066 mg/L (musk ketone) and 0.160 mg/L (Celestolide), respectively. These values were generally more than one order of magnitude below the 48-hr-LC(50)-values found for adults, which were 0.47 mg/L (Galaxolide), 0.71 mg/L (Celestolide), 1.32 mg/L (musk ketone) and 2.5 mg/L (Tonalide). Since the synthetic musks strongly inhibited larval development in A. tonsa at low nominal concentrations, they should be considered as very toxic. The larval development test with A. tonsa is able to provide important aquatic toxicity data for the evaluation of synthetic musks, for which there is little published ecotoxicological information available regarding Crustacea ...|/AQUATIC SPECIES/ A full life-cycle (

Acetyl tert-butyl dimethylindan's production and use as a musk fragrance for perfuming soap and cosmetics(1) may result in its release to the environment through various waste streams(SRC).

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 5000(SRC), determined from a structure estimation method(2), indicates that acetyl tert-butyl dimethylindan is expected to have very slight mobility in soil(SRC). Volatilization of acetyl tert-butyl dimethylindan from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 1.78X10-2 atm-cu m/mole(3). However, adsorption to soil is expected to attenuate volatilization(SRC). Acetyl tert-butyl dimethylindan is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.5X10-4 mm Hg(3). Using the OECD 301 Modified MITI test, 0% biodegradation in 28 days(4) suggests that biodegradation is not an important environmental fate process in soil(SRC).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 5000(SRC), determined from a structure estimation method(2), indicates that acetyl tert-butyl dimethylindan is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon a Henry's Law constant of 1.78X10-2 atm-cu m/mole(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 5 hrs and 6 days, respectively(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The volatilization half-life from a model pond is about 52 months when adsorption is considered(5). According to a classification scheme(6), an estimated BCF of 700(SRC), from its log Kow of 5.7(7) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is high(SRC). Using the OECD 301 Modified MITI test, 0% biodegradation in 28 days(7) suggests that biodegradation is not an important environmental fate process in water(SRC).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), acetyl tert-butyl dimethylindan, which has a vapor pressure of 1.50X10-4 mm Hg(2), will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase acetyl tert-butyl dimethylindan is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 2 days(SRC), calculated from its rate constant of 7.4X10-12 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Particulate-phase acetyl tert-butyl dimethylindan may be removed from the air by wet and dry deposition(SRC). Acetyl tert-butyl dimethylindan contains chromophores that absorb at wavelengths >290 nm(4) and, therefore, may be susceptible to direct photolysis by sunlight(SRC).

The rate constant for the vapor-phase reaction of acetyl tert-butyl dimethylindan with photochemically-produced hydroxyl radicals has been estimated as 7.4X10-12 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 2 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). Acetyl tert-butyl dimethylindan is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(2). Acetyl tert-butyl dimethylindan contains chromophores that absorb at wavelengths >290 nm(2) and, therefore, may be susceptible to direct photolysis by sunlight(SRC).

An estimated BCF of 700 was calculated in fish for acetyl tert-butyl dimethylindan(SRC), using a log Kow of 5.7(1) and a regression-derived equation(2). According to a classification scheme(2), this BCF suggests the potential for bioconcentration in aquatic organisms is high(SRC).

Using a structure estimation method based on molecular connectivity indices(1), the Koc of acetyl tert-butyl dimethylindan can be estimated to be 5000(SRC). According to a classification scheme(2), this estimated Koc value suggests that acetyl tert-butyl dimethylindan is expected to have slight mobility in soil(SRC).

The Henry's Law constant for acetyl tert-butyl dimethylindan is 1.78X10-2 atm-cu m/mole(1). This Henry's Law constant indicates that acetyl tert-butyl dimethylindan is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 5 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 6 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The volatilization half-life from a model pond is about 52 months when adsorption is considered. Acetyl tert-butyl dimethylindan's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Acetyl tert-butyl dimethylindan is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 4.8X10-4 mm Hg at 25 °C(SRC), determined from a fragment constant method(1).

SURFACE WATER: Acetyl tert-butyl dimethylindan was present in the dissolved phase at a concentration of 0.029 ng/L in Lake Michigan water, sampled during June 1999 and May 2000(1). Acetyl tert-butyl dimethylindan was tested for but not detected in water samples from the Haihe River in North China collected from Dec 29-30, 2008(2). Mean concentrations in surface water have been reported as follows (ng/L, location): <11, France; <10-20, Germany; <0.20-96, Spain; 0.029, USA(3). A median concentration of 2.45 ng/L has been reported in surface water from the Molgora River (Lombardia Region, Northern Italy), sampled in 2010/2011. Concentrations in other European rivers are as follows (river, country, year, ng/L): Elbe, Germany, 1997, 5; Mulde Saale, Germany, 1996-1997, 50; Ruhr, Germany, 1995/1996, 6; Glatt, Switzerland, 1994, 3.2(4).

Acetyl tert-butyl dimethylindan concentration range of 1-18 ug/kg fat was reported in 6 breast milk samples from Schleswig-Holstein, Germany, sampled in 1995(1). Acetyl tert-butyl dimethylindan median concentration was <2.0 ng/g lipid (max 11.0 ng/g lipid) mother's milk from 101 women living in Uppsala County, Sweden; 74 samples were <2.0 ng/g lipid. Samples were collected from 1996-2003(2).

Occupational exposure to acetyl tert-butyl dimethylindan may occur through inhalation and dermal contact with this compound at workplaces where acetyl tert-butyl dimethylindan is produced or used. Monitoring/use data indicate that the general population may be exposed to acetyl tert-butyl dimethylindan via inhalation of and dermal contact with personal care products containing this compound, inhalation of contaminated dust and dermal contact with contaminated sediments. (SRC)|Average gas-phase air concentrations of acetyl tert-butyl dimethylindan where 34.45, 0.50. 0.31 and 0.24 ng/cu m in workshop, out of workshop, 200m downwind, and 25m downwind, respectively, from a cosmetic plant located in HuangPu industrial park in GuangZhou, China. Sampling was conducted Nov 15-22, 2004(1). Occupational exposure of acetyl tert-butyl dimethylindan to barbers in Tianjin, China from barbershop dust was studied; samples were collected during April and July, 2012. Acetyl tert-butyl dimethylindan exhibited a 65.5% detection frequency with an average concentration of 127 ng/g; detection limit = 0.30 ng/g(2).

Blood concentrations of acetyl tert-butyl dimethylindan in 114 healthy young adults, Vienna, Austria, were below the detection limit of 25 ng/L(1). Levels in blood samples from 50 hairdressers and 10 non-hairdresser adults in Tianjin, China, collected during April and July, 2012 were below the detection limit of 0.23 ng/L(2). Occurrence of acetyl tert-butyl dimethylindan in 15 human adipose tissue samples from Switzerland taken 1983/84 and in 1994 ranged from 0.12 (1994) to 3.4 (1983) ng/g lipids(3). Acetyl tert-butyl dimethylindan concentration range of 1-18 ug/kg fat was reported in 5 breast milk samples from Schleswig-Holstein, Germany, sampled in 1995. A concentration range of not detected to 3 ug/kg fat was reported in 15 adipose tissue samples from the same area, sampled in 1993; detection limit = 1 ug/kg fat(4). Acetyl tert-butyl dimethylindan median concentration was <2.0 ng/g lipid (max 11.0 ng/g lipid) mother's milk from 101 women living in Uppsala County, Sweden; 74 samples were <2.0 ng/g lipid. Samples were collected from 1996-2003(5).

A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell, especially a fluid containing fragrant natural oils extracted from flowers, woods, etc., or similar synthetic oils. (Random House Unabridged Dictionary, 2d ed) (See all compounds classified as Perfume.)

/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Poisons A and B/|/SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poisons A and B/|/SRP:/ Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Positive-pressure ventilation techniques with a bag valve mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Consider administering a beta agonist such as albuterol for severe bronchospasm ... . Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start IV administration of D5W TKO /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's (LR) if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam (Valium) or lorazepam (Ativan) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poisons A and B/

/GENOTOXICITY/ The synthetic polycyclic musk fragrance compounds galaxolide (1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethylcyclopenta-(g)-2-b enzopyrane), tonalide (7-acetyl-1,1,3,4,4,6-hexamerthyltetraline), celestolide (4-acetyl-1,1-dimethyl-6-tert-butylindane), phantolide (6-acetyl-1,1,2,3,3,5-hexamethylindane), cashmeran (6,7-dihydro-1,1,2,3,3-pentamethyl-4-(5H) indanone) and traseolide (5-acetyl-1,1,2,6-tetramethyl-3-isopropylindane) were examined for their genotoxicity in the micronucleus test (MNT) with human lymphocytes in vitro in the presence and absence of an exogenous metabolizing system containing rat liver S9 and the metabolically competent human hepatoma cell line Hep G2. Compound concentrations were employed up to cytotoxic doses. Galaxolide, tonalide, celestolide, phantolide, cashmeran and traseolide revealed no genotoxicity in the micronucleus test with human lymphocytes and with the human hepatoma cell line Hep G2.|/ALTERNATIVE and IN VITRO TESTS/ In this work, the estrogenic effects of three classes of substances included in cosmetic formulations-parabens, ultraviolet (UV) screens, and musk fragrances-were studied. Their estrogenic activity was measured with the use of three reporter cell lines: HELN, HELN ERalpha, and HELN ERbeta. These three cell lines allowed for the measurement of estrogenic activity toward estrogen receptors alpha and beta (ERalpha and ERbeta0, while taking nonspecific interactions into account. Eight of the 15 substances tested showed specific estrogenic activity with the following degree of potency on ERalpha: butylparaben > propylparaben > homosalate = octyl-dimethyl-PABA = 4-methyl-benzylidenecamphor = octyl-methoxycinnamate > ethylparaben = galaxolide. Among these active substances, parabens activated ERalpha and ERbeta similarly, UV screens activated ERalpha moderately and had almost no effect on ERbeta, and fragrances did not activate ERbeta. Methylparaben, ethylparaben, musk moskene, celestolide, and cashmeran did not activate estrogenic responses up to 10(-5) M. Musk ketone and benzophenone-3 were not considered estrogenic at 10(-5) M.

acetyl tert-butyl dimethylindan

Ethanone, 1-[6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl]-: ACTIVE

Personal care products, an important class of emerging contaminants, have been frequently detected in different environmental matrices. Included in this category are synthetic musks compounds (SMCs) and UV-filters. Their occurrence in the coastal environment has been poorly studied. Therefore, this work aimed to verify whether five coastline plant species (Carpobrotus edulis, Cakile maritima, Medicago marina, Elymus farctus borealis-atlanticus and Euphorbia paralias) have the ability to accumulate 11 SMCs (cashmeran, celestolide, phantolide, galaxolide, tonalide, exaltolide, musk moskene, tibetene, ambrette, xylene and ketone) and 2 organic UVB filters (3-(4'-methylbenzylidene) camphor and octocrylene), functioning as biosamplers. To accomplish this task, a QuEChERS technique ("Quick, Easy, Cheap, Effective, Rugged, and Safe") was employed to extract the target compounds from the plant material collected in 15 beaches of Matosinhos and Vila Nova de Gaia (Portugal). The resulting extracts were analyzed by gas chromatography-mass spectrometry. Limits of detection ranged from 0.02 ng/g for celestolide and tonalide to 1.32 ng/g for musk ambrette. The obtained recoveries were around 93% and relative standard deviation was generally less than 15%. SMCs were detected at levels ranging from 1.56 to 350 ng/g dw and UV-filters from 2.9 to 264 ng/g dw. Galaxolide and 3-(4'-methylbenzylidene) camphor were the synthetic musk and UV-filter detected in higher concentrations, respectively. Plants with higher water content accumulate better SMCs (hottentot-fig), while those with higher lipid content retain better the UV-filters (sea spurge).|In this work the development and validation of a new procedure for the simultaneous determination of 9 nitro and polycyclic musk compounds: musk ambrette (MA), musk ketone (MK), musk mosken (MM), celestolide (ADBI), phantolide (AHMI), tonalide (AHTN), traseolide (ATII), cashmeran (DPMI) and galaxolide (HHCB) in environmental water samples (estuarine and wastewater) using microextraction by packed sorbent (MEPS) followed by large volume injection-gas chromatography-mass spectrometry (LVI-GC-MS) was carried out. Apart from the optimization of the different variables affecting MEPS (i.e., nature of the sorbent, nature of the solvent elution, sample load, and elution/injection volume) extraction recovery was also evaluated, not only for water samples but also for environmental water matrices such as estuarine and waste water. The use of two deuterated analogs ([(2)H3]-AHTN and [(2)H15]-MX) was successfully evaluated in order to correct matrix effect in complex environmental matrices such as influent samples from wastewater treatment plants. Method detection limits (MDLs) ranged from 5 to 25 ng/L, 7 to 39 ng/L and 8 to 84 ng/L for influent, effluent and estuarine samples, respectively. Apparent recoveries were higher than 75% for all target compounds in all the matrices studied (estuarine water and wastewater) and the precision of the method, calculated as relative standard deviation (RSD), was below 13.2% at 200 ng/L concentration level and below 14.9% at low level (20 ng/L for all the target analytes, except for AHTN which was set at 40 ng/L and HHCB at 90 ng/L, due to the higher MDL values presented by those target compounds). Finally, this MEPS procedure was applied to the determination of the target analytes in water samples, including estuarine and wastewater, from two estuaries, Urdaibai (Spain) and Adour (France) and an established stir-bar sorptive extraction-liquid desorption/large volume injection-gas chromatography-mass spectrometry (SBSE-LD/LVI-GC-MS) method was performed in parallel for comparison. Results were in good agreement for all the analytes determined, except for DPMI.

Flavoring Agents -> JECFA Flavorings Index

Flavoring Agents