Dimethyl adipate

174.19

174.19

1707443

211-020-6

BY71RX0R62

11213

DTXSID8025096

Liquid

29171290

52.6

1

Clear Liquid

1.0600 g/cm³ @ Temp: 20 °C

10.3 °C

115 °C @ Press: 13 Torr

225 °F

1.423

Miscible with alcohols and ether. Immiscible with water.

Store below +30°C.

0.2 mm Hg ( 20 °C)

Abdominal injection-Rat LD50: 1809 mg/kg

Combustible in case of open flame, high temperature and strong oxidant; burning emits irritating smoke

0.81-8.1%(V)

8.40e-12 cm3/molecule*sec

Flammable. Hydrolyzed by strong mineral acids and strong alkalis.

Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters

DIMETHYL ADIPATE is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.

680 °F (USCG, 1999)

NONH for all modes of transport

1

24/25

AV1645000

Complete packaging, light loading and unloading; warehouse ventilated, away from open flame, high temperature, and stored separately from oxidant

Stable. Combustible. Incompatible with strong oxidizing agents, acids, bases reducing agents.

P264, P280, P305+P351+P338, P33, P313

H319

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

|Warning|H319 (90.37%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 1025 companies from 11 notifications to the ECHA C&L Inventory.

Fire Extinguishing Agents: Carbon dioxide, dry chemical, alcohol foam. (USCG, 1999)

Neutralizing Agents for Acids and Caustics: Data (USCG, 1999)

Self-contained breathing apparatus, rubber boots and heavy rubber gloves. (USCG, 1999)

SOIL: Dimethyl adipate was identified, not quantified in various buried Ah horizon soil samples collected from Alberta, Canada(1).

moderately toxic

The potential developmental effects of inhalation of dibasic esters (DBE) were investigated in the rat. The DBE mixture consisted of 65.12% dimethyl-glutarate, 17.75% dimethyl-succinate and 16.83% dimethyl-adipate. Starting at Day seven of gestation, pregnant Crl:CD-BR-rats were exposed whole body to dibasic esters at 0.16, 0.4 or 1.0 mg/l for 6 hours/day. On Day 21 of gestation, female rats were euthanized, and the fetuses were examined for external, visceral and skeletal alterations. Feed consumption during the first 6 days and body weight were reduced in pregnant rats in the 0.4 and 1.0 mg/l groups. Perinasal staining and wet fur were seen in the 1.0 mg/l group. Adverse reproductive effects of dibasic esters exposure were not detected, and there was no effect on fetal weight. No significant differences were seen in the incidences of external, visceral and skeletal alterations in exposed and control fetuses. The authors conclude that dibasic esters is not a developmental toxicant by inhalation in the rat at concentrations as high as 1.0 mg/l.

Dimethyl adipate's production and use as a finish remover(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 11(SRC), determined from a structure estimation method(2), indicates that dimethyl adipate is expected to have very high mobility in soil(SRC). Volatilization of dimethyl adipate from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 9.77X10-7 atm-cum/mole(4), determined from a fragment constant estimation method(4). Dimethyl adipate is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.06 mm Hg(3).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 11(SRC), determined from an estimation method(2), indicates that dimethyl adipate is not expected to adsorb to suspended solids and sediment in water(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 9.77X10-7 atm-cu m/mole(7), developed using a fragment constant estimation method(7). According to a classification scheme(4), an estimated BCF of 1.2(SRC), from a log Kow of 1.03(6) and a regression-derived equation(5), suggests the potential for bioconcentration in aquatic organisms is low. Dimethyl adipate is expected to undergo hydrolysis producing hexanedioic acid and methanol(SRC). Estimated hydrolysis half-lives are 2 years and 60 days at pH values of 7 and 8, respectively(8).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), dimethyl adipate, which has a vapor pressure of 0.06 mm Hg at 25 °C(3), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase dimethyl adipate 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 4 days(SRC), calculated from its rate constant of 4X10-12 cu cm/molecule-sec at 25 °C(2). Dimethyl adipate may undergo direct photolysis in the environment, since this compound contains a functional group that can absorb light >290 nm(4).

The rate constant for the vapor-phase reaction of dimethyl adipate with photochemically-produced hydroxyl radicals has been estimated as 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 4 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). A base-catalyzed second-order hydrolysis rate constant of 0.13 L/mole-sec(SRC) was estimated using a structure estimation method(2); this corresponds to half-lives of 2 years and 60 days at pH values of 7 and 8, respectively(2). Dimethyl adipate may undergo direct photolysis in the environment, since this compound contains a functional group that can absorb light >290 nm(3).

An estimated BCF of 1.2 was calculated for dimethyl adipate(SRC), using a log Kow of 1.03(3) and a regression-derived equation(1). According to a classification scheme(2), this BCF suggests the potential for bioconcentration in aquatic organisms is low.

The Koc of dimethyl adipate is estimated as 11(SRC), using a log Kow of 1.03(3) and a regression-derived equation(1). According to a classification scheme(2), this estimated Koc value suggests that dimethyl adipate is expected to have very high mobility in soil.

The Henry's Law constant for dimethyl adipate is estimated as 9.77X10-7 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that dimethyl adipate is not expected to volatilize from water surfaces(2). Dimethyl adipate's Henry's Law constant(1) indicates that volatilization from moist soil surfaces is not expected to occur(SRC). Dimethyl adipate is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.06 mm Hg (3).

Occupational exposure to dimethyl adipate may occur through inhalation and dermal contact with this compound at workplaces where dimethyl adipate is produced or used as a plasticizer. The general population may be exposed to dimethyl adipate via inhalation or dermal contact with finish removers in which, dimethyl adipate is used as a solvent. (SRC)

The metabolism of dibasic esters by rat nasal mucosal tissues was studied in-vitro. Homogenates of olfactory tissue from the ethmoturbinates and respiratory tissue from the nasoturbinates and maxilloturbinates of Crl:CDBR-rats were incubated with dimethyl succinate, dimethyl glutarate, or dimethyl adipate. Values of the reaction velocity at saturating substrate concentration (Vmax), the second order rate constant for binding and catalysis (V/K), the Michaelis constant (Km), and the dibasic ester concentration required to produce half maximal inhibition of the reaction rate (Ksi) were computed. The dibasic esters were hydrolyzed to their monomethyl esters by both the olfactory and respiratory mucosal homogenates. No diacid metabolites were detected. The rates of hydrolysis were always greater in the olfactory than in the respiratory homogenates. Vmaxs in olfactory tissue from male rats were 5 to 9 times higher than in respiratory tissue. In female rats, Vmaxs in the olfactory homogenates were 6 to 13 times those of the respiratory mucosa. V/Ks in male and female olfactory tissue were 4 to 11 and 6 to 10 times those in the corresponding respiratory tissue, respectively. When dimethyl glutarate was used as the substrate, V/Ks were similar for male and female olfactory tissue. In the case of dimethyl succinate and dimethyl adipate, V/K values for female olfactory tissue were 0.5 and 2 times those of the male tissues, respectively. The largest Km values in the olfactory tissues occurred when dimethyl adipate was used as the substrate, followed by dimethyl adipate and dimethyl glutarate in that order. The Ki values ranged from 24 to 46.5 millimolar. Female rats were pretreated with 1% bis-p-nitrophenyl phosphate, a carboxylesterase specific inhibitor. Bis-p-nitrophenyl phosphate decreased the rates of hydrolysis of dimethyl adipate, dimethyl glutarate, and dimethyl succinate in olfactory tissue by 79.8, 81, and 72%, respectively. The corresponding rates of hydrolysis in respiratory tissue were reduced by 87, 73, and 95%. The authors conclude that lesions induced in the nasal cavity of rodents by inhaled esters may be due to toxic acid metabolites.

May be harmful by inhalation, ingestion, or skin absorption. May cause irritation. (USCG, 1999)

INHALATION: Call for medical aid. Remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. EYES: Flush immediately with copious amounts of water for at least 15 minutes. SKIN: Wash immediately with soap and copious amounts of water. (USCG, 1999)

GENERAL TOXICITY OF /HIGHER-MOLECULAR-WT DIESTERS OF ADIPIC ACID/...IS SIMILAR IN MANY WAYS TO THAT OF PHTHALATE ESTERS &, IN SOME INSTANCES...MAY BE LESS. TOXICITY DATA ON ADIPATES...NOT QUITE AS EXTENSIVE AS FOR PHTHALATE ESTERS, & THUS CAUTION SHOULD BE TAKEN IN CONCLUDING THAT TOXIC EFFECTS...SIMILAR. /ADIPATE ESTERS/

adipic acid dimethyl ester

All other basic organic chemical manufacturing|Hexanedioic acid, 1,6-dimethyl ester: ACTIVE|A NUMBER OF POLYVINYL CHLORIDE PRODUCTS UTILIZE ONE OF THE HIGHER-MOLECULAR-WT DIESTERS OF ADIPIC ACID. /ADIPIC ACID ESTERS/

GLC RETENTION INDEXES OF 296 NONDRUG SUBSTANCES LIKELY TO BE ENCOUNTERED IN TOXICOLOGICAL ANALYSES.

EPA Safer Chemical Functional Use Classes -> Solvents|Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern|Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index|Cosmetics -> Emollient; Plasticiser

Flavouring Agent -> FLAVOURING_AGENT;|Flavoring Agents