Benzenepropanol

136.19

136.19

1857542

204-587-6

U04IC2765C

1650

16942

DTXSID6041638|DTXSID50872315

Colorless liquid|Slightly viscous, colorless liquid

29062900

20.2

1.9

Clear colorless Liquid

1.006 g/cm³ @ Temp: 24 °C

<-18 °C

235 °C

229 °F

n20/D 1.526(lit.)

H2O: 10.3 g/L (20 ºC)

Store below +30°C.

0.0234 mm Hg at 25 deg C (extrapolated from higher temperatures)

Floral odor

Sweet and pungent taste suggestive of apricot

2.03e-07 atm-m3/mole|Henry's Law constant: <5.6X10-8 atm-cu m/mole at 25 °C

pKa = 15.96 at 25 °C (est)

Density: 1.008 at 20/4 °C; Boiling point: 237.5 °C at 100 kPa|Hydroxyl radical reaction rate constant = 1.2X10-11 cu cm/molec-sec at 25 °C (est)

Enthalpy of vaporization: 62.6-62.8 kJ/mol

Critical Temperature: 732 deg K; Critical Pressure: 3.4 MPa

I; II; III

NONH for all modes of transport

1

36/37/38-36/38-R36/38

26-37/39-S37/39-S26

UB8970000

Xi

Stable under recommended storage conditions.

P261-P305 + P351 + P338

H315-H319-H335

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.|Product: Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed professional waste disposal service to dispose of this material. Contaminated packaging: Dispose of as unused product.

Strong oxidizing agents.

|Warning|H315 (94.89%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 1917 companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H315: Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501

Respiratory protection: Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator with multipurpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU).|Body Protection: Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace.|Skin protection: Handle with gloves.|Eye/face protection safety: Use glasses with side-shields conforming to EN166 Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Combustible liquid

Special hazards arising from the substance or mixture: Carbon oxides|Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Wear self contained breathing apparatus for fire fighting if necessary.|Extinguishing Methods: alcohol resistant fire fighters foam.|Wear self contained breathing apparatus for fire fighting if necessary.

ACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Environmental precautions: Do not let product enter drains.|Soak up with inert absorbent material and dispose of as hazardous waste. Keep in suitable, closed containers for disposal.

Avoid contact with skin and eyes. Avoid inhalation of vapor or mist. Normal measures for preventive fire protection.|Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands.

A skin irritant.

| 1 - Materials that, under emergency conditions, can cause significant irritation.| 1 - Materials that must be preheated before ignition can occur. Materials require considerable preheating, under all ambient temperature conditions, before ignition and combustion can occur.| 1 - Materials that in themselves are normally stable but that can become unstable at elevated temperatures and pressures.

3-Phenylpropanol was detected in wastewater effluents from the rum and timber products industries(1).

3-Phenylpropanol is reported to occur in tobacco smoke(1).

IDENTIFICATION AND USE: 3-Phenylpropanol is a colorless liquid. It smells like hyacinths and tastes similar to apricot. It occurs in many fruits and berries, cinnamon and some types of balsam. 3-Phenylpropanol occurs in tobacco smoke. 3-Phenylpropanol is typically used as a perfume for applications such as antiperspirants, creams-lotions, lipsticks, talcum powder, tablet soap, shampoo, hair conditioner, bath/shower gel, detergent powder, liquid detergent, fabric softener, candles, incense. Also used in blossom compositions for balsamic and oriental notes. It is not registered for current pesticide use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses. HUMAN EXPOSURE AND TOXICITY: In a multicenter study, 218 fragrance sensitive patients with proven contact dermatitis were patch tested. Reactions (0.9%) in fragrance sensitive patients were observed with 3-phenylpropanol at 5% in petrolatum. ANIMAL STUDIES: In rats dosed orally with 3-phenylpropanol at dose levels of 1.31, 2.56 and 5.0 g/kg/bw deaths occurred within the first 2 days. The clinical signs observed were slight lethargy and flaccid muscle tone. In a preliminary screen for an acute oral toxicity study, a 50% solution of 3-phenyl-1-propanol in corn oil was administered orally to 10 rats at a dose level of 5 g/kg bw, nine (9/10) rats died. In another study, rats were dosed orally with a 50% solution of 3-phenylpropanol in corn oil at dose levels of 1.47, 2.15, 3.16 and 4.64 g/ kg bw. One death occurred at 1.47 g/kg; and at 2.15 and at 4.64 g/kg. The clinical signs observed during the study were depression, hypopnea, ataxia and piloerection. Gross observations at necropsy revealed dark red areas in the lungs at the three lower doses and dark red lungs at the highest dose. In an irritation study in rabbits 3-phenylpropanol was applied for 24 hr under occlusion at dose levels of 2.5 and 5 g/kg. At 2.5 g/kg, moderate erythema and slight to moderate edema were observed. At 5 g/kg, moderate to severe erythema and moderate edema were observed. In another study in rabbits, 3-phenyl-1-propanol was applied for 24 hr under occlusion at 5 g/kg. Moderate to severe erythema, severe edema, scaling and necrosis were observed. A 0.5 mL aliquot of 3-phenylpropanol was applied to intact and abraded skin for 24 hr under occlusion. Moderate irritation was observed. Necrosis was also observed. No mutagenic or genotoxic activity in bacteria and mammalian cell line assay was found.

LD50 Rabbit dermal <5.0 g/kg|LD50 Rabbit dermal 5000 mg/kg|LD50 Rat oral 2300 mg/kg

3-Phenylpropanol occurs naturally both in the free and esterified form in resins and balsams (e.g., benzoe resin and Peru balsam)(1). It has been identified in fruit and cinnamon(1). It occurs in a variety of fruits and berries(2).

3-Phenylpropanol's production and use in the synthesis of flavor and fragrance compounds(1), as a flavoring agent in foods(2) and as a preservative in cosmetics(3) may result in its release to the environment through various waste streams(SRC). Its use as a perfume(1,2) may result in its direct result to the environment(SRC). 3-Phenylpropanol has been identified as a component of tobacco smoke(4).

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 71(SRC), determined from a structure estimation method(2), indicates that 3-phenylpropanol is expected to have high mobility in soil(SRC). Volatilization of 3-phenylpropanol from moist soil surfaces is not expected to be an important fate process(SRC) given a measured Henry's Law constant of <5.6X10-8 atm-cu m/mole(3). Even though the extrapolated vapor pressure is low environmentally at standard temperature and pressure, 0.0234 mm Hg at 25 °C(5), there is a detectable odor; therefore, 3-phenylpropanol may volatilize from dry soil(SRC). Utilizing the Zahn-Wellens test, 100% biodegradation was reached in 4 days(6) indicating that biodegradation is an important environmental fate procession soil(SRC).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 71(SRC), determined from a structure estimation method(2), indicates that 3-phenylpropanol is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon a measured Henry's Law constant of <5.6X10-8 atm-cu m/mole(4). According to a classification scheme(5), an estimated BCF of 4.5(SRC), from its log Kow of 1.88(6) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Utilizing the Zahn-Wellens test, 100% biodegradation was reached in 4 days(7) indicating that biodegradation is 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), 3-phenylpropanol, which has an extrapolated vapor pressure of 0.0234 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 3-phenylpropanol 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 1.4 days(SRC), calculated from its rate constant of 1.2X1-11 cu cm/molecule-sec at 25 °C(SRC) (that was derived using a structure estimation method(3). 3-Phenylpropanol does not contain chromophores that absorb at wavelengths >290 nm(4) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).

The rate constant for the vapor-phase reaction of 3-phenylpropanol with photochemically-produced hydroxyl radicals has been estimated as 1.2X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 1.4 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). 3-Phenylpropanol is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(2). 3-Phenylpropanol does not contain chromophores that absorb at wavelengths >290 nm(2) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).

An estimated BCF of 4.5 was calculated in fish for 3-phenylpropanol(SRC), using a log Kow of 1.88(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

Using a structure estimation method based on molecular connectivity indices(1), the Koc of 3-phenylpropanol can be estimated to be 71(SRC). According to a classification scheme(2), this estimated Koc value suggests that 3-phenylpropanol is expected to have high mobility in soil.

The Henry's Law constant for 3-phenylpropanol has been measured as <5.6X10-8 atm-cu m/mole(1). This Henry's Law constant indicates that 3-phenylpropanol is expected to be essentially nonvolatile from water surfaces(2). 3-Phenylpropanol's Henry's Law constant indicates that volatilization from moist soil surfaces is not expected to occur(SRC). Even though the extrapolated vapor pressure is low environmentally at standard temperature and pressure, 0.0234 mm Hg at 25 °C(4), there is a detectable odor; therefore, 3-phenylpropanol may volatilize from dry soil(SRC).

3-Phenylpropanol was detected in the skin and pulp of Queen Anne's pocket melon (Cucumis melo var. dudaim (L.) Naudin) at respective concentrations of 365.3 and 216.5 ug/kg(1). 3-Phenylpropanol is reportedly found in heated blackberry, rum, and white wine(2).

According to the 2012 TSCA Inventory Update Reporting data, 2 reporting facilities estimate the number of persons reasonably likely to be exposed in their respective industrial use in the United States manufacturing, processing, or use of 2-phenylpropanol (122-97-4) may be as low as <10 workers per plant; the data may be greatly underestimated due to confidential business information (CBI) or unknown values(1).|NIOSH (NOES Survey 1981-1983) has statistically estimated that 12,309 workers (7,936 of these were female) were potentially exposed to 3-phenylpropanol in the US(1). Occupational exposure to 3-phenylpropanol may occur through inhalation and dermal contact with this compound at workplaces where 3-phenylpropanol is produced or used. Monitoring and use data indicate that the general population may be exposed to 3-phenylpropanol via inhalation of ambient air (in the vicinity of perfumes containing the compound or tobacco smoke), ingestion of food, and dermal contact with consumer products containing 3-phenylpropanol(SRC).

An in vitro percutaneous absorption study of 3-phenyl-1-propanol, across human skin was conducted using a diffusion cell. Skin samples, approximately 280 um thick, were obtained from cosmetic surgical human abdominal skin. The dermatomed skin samples were fixed in 4% formaldehyde, embedded in paraffin. 3-Phenyl-1-propanol (5.0 mg/mL, working concentration) was dissolved in buffer solution at a concentration equivalent to approximately 75% of its solubility in that medium. The solution was used to fill the donor compartment while the receptor compartment was filled with pH 7.4 buffer solution. The experiments were carried out at 37 °C. The cells were immersed in a thermostatically regulated water bath. Assay duration was 7 hr. Receptor compartment sampling was carried out every 30 min and the extracted samples were replaced with the buffer solution. Samples were analyzed by gas chromatograph with a flame ionization detector. The mean permeability coefficient for 3-phenyl-1-propanol was reported to be 52.35 +/- 4.98 Kp[cm/hour] and the flow value was 1.18 +/- 0.11 J[mg/hr].

/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 as 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. /Higher alcohols (>3 carbons) and related compounds/|/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 necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for shock and treat if necessary ... . Monitor for pulmonary edema 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. Administer activated charcoal ... . /Higher alcohols (>3 carbons) and related compounds/|/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 ... . Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start IV administration of D5W /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. Consider vasopressors if patient is hypotensive with a normal fluid volume. Watch for signs of fluid overload ... . Monitor for signs of hypoglycemia (decreased LOC, tachycardia, pallor, dilated pupils, diaphoresis, and/or dextrose strip or glucometer readings below 50 mg) and administer 50% dextrose if necessary ... . Treat seizures with diazepam or lorazepam ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Higher alcohols (>3 carbons) and related compounds/

/HUMAN EXPOSURE STUDIES/ Closed patch tests were conducted on 82 patients with 0.05- 0.5% 3-phenyl-1-propanol in a base cream or in 99% ethanol. Patches consisted of a piece of 1.0 sq cm lint with a 2.0 sq cm cellophane disc placed on the lint and covered with a 4.0 sq cm plaster. Patches were applied to the back, the forearm and the inside of the upper arm for 24-48 hr. Reactions were read 30 min after patch removal. No reactions were observed.|/HUMAN EXPOSURE STUDIES/ In a multicenter study, 218 fragrance sensitive patients with proven contact dermatitis were patch tested with various fragrance materials according to internationally accepted criteria. Reactions (0.9%) were observed with 5% 3-phenyl-1-propanol in petrolatum.|/HUMAN EXPOSURE STUDIES/ A maximization test was carried out with 8% 3-phenyl-1-propanol in petrolatum on 25 healthy (17 female/8 male) volunteers. Application was under occlusion to the same site on the forearms or backs of all subjects for five alternate-day 48 hr periods. Patch sites were pretreated for 24 hr with 2.5% aqueous sodium lauryl sulfate (SLS) under occlusion. Following a 10 day rest period, challenge patches were applied to fresh sites for 48 hr under occlusion. Challenge sites were pretreated with aqueous SLS. Reactions to the challenge were read at patch removal and 24 hr thereafter. No sensitization reactions were observed.|/HUMAN EXPOSURE STUDIES/ A human repeated insult patch test was conducted on 50 male and female volunteers. Induction patches with 3-phenyl-1-propanol at 4% in petrolatum, were applied for 24 hr under occlusion to the upper arm 3 days a week (Monday/ Wednesday/ Friday) for a total of 15 applications. A 2 week rest period followed the last induction application, followed by a 24 hr challenge patch at the same skin site. The challenge site was read at patch removal, and 24 and 48 hr thereafter. No reactions were produced.|/HUMAN EXPOSURE STUDIES/ Irritation was evaluated during the induction phase of a human repeated insult patch test (HRIPT) which was conducted on 50 healthy volunteers. 3-Phenyl-1-propanol at 4% in petrolatum was applied to a 3 sq cm patch, which was then applied to the upper arm of each volunteer for 24 hr under occlusion. A total of 15-24 hr applications were made. Reactions were read at patch removal. No irritation was observed.

3-phenyl-1-propanol

Solriamfetol|1650|Schedule IV - Substances in the DEA Schedule IV have a low potential for abuse relative to substances in Schedule III.|No

All other basic organic chemical manufacturing|Benzenepropanol: ACTIVE

EPA Safer Chemical Functional Use Classes -> Defoamers|Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern|Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Cosmetics -> Solvent

Flavoring Agents