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| CAS No.: | 2835-39-4 |
|---|---|
| Name: | ALLYL ISOVALERATE |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C8H14 O2 |
| Molecular Weight: | 142.198 |
| Synonyms: | Butanoicacid, 3-methyl-, 2-propenyl ester (9CI); Isovaleric acid, allyl ester (8CI);Allyl isopentanoate; Allyl isovalerate; NSC 18606 |
| Density: | 0.88 g/mL at 25oC(lit.) |
| Boiling Point: | 155oC(lit.) |
| Flash Point: | 139 °F |
| Hazard Symbols: | Xn |
| Risk Codes: | 21/22-36/37/38 |
| Safety: | Suspected carcinogen with experimental carcinogenic and tumorigenic data. A poison by ingestion. Moderately toxic by skin contact. A skin irritant. When heated to decomposition it emits acrid smoke and fumes. See also ALLYL COMPOUNDS and ESTERS. |
| PSA: | 26.30000 |
| LogP: | 1.76170 |
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Chemistry
Product Name: Isovaleric acid, allyl ester (CAS NO.2835-39-4)
Molecular Formula: C8H14O2
Molecular Weight: 142.2g/mol
Mol File: 2835-39-4.mol
Einecs: 220-609-7
Appearance: Clear colorless to pale yellow liquid with overripe fruit odor and an apple taste
Boiling point: 164.6 °C at 760 mmHg
Flash Point: 55.4 °C
Density: 0.88 g/mL at 25 °C(lit.)
Refractive index: n20/D 1.416(lit.)
Water Solubility: Insoluble in water
Surface Tension: 26.3 dyne/cm
Enthalpy of Vaporization: 40.11 kJ/mol
Vapour Pressure: 1.95 mmHg at 25°C
Product Categories: A-B; Alphabetical Listings; Flavors and Fragrances
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LDLo | oral | 500mg/kg (500mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER | National Toxicology Program Technical Report Series. |
| rabbit | LD50 | skin | 560mg/kg (560mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 703, 1979. | |
| rat | LD50 | oral | 230mg/kg (230mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 703, 1979. |
Consensus Reports
IARC Cancer Review: Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 , 1987,p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 36 , 1985,p. 69.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . NTP Carcinogenesis Studies (gavage); Clear Evidence: mouse, rat NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-253 ,1983. . Reported in EPA TSCA Inventory.
Safety Profile
Suspected carcinogen with experimental carcinogenic and tumorigenic data. A poison by ingestion. Moderately toxic by skin contact. A skin irritant. When heated to decomposition it emits acrid smoke and fumes. See also ALLYL COMPOUNDS and ESTERS.
Safety Information of Isovaleric acid, allyl ester (CAS NO.2835-39-4):
Hazard Codes: Xn.gif){kind=small}
Risk Statements: 21/22-36/37/38
21: Harmful in contact with skin
22: Harmful if swallowed
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements: 26-36
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
Specification
Isovaleric acid, allyl ester ,its CAS NO. is 2835-39-4,the synonyms is Allyl isopentanoate ; Allyl isovalerate ; Allyl isovalerianate ; Allyl-3-methyl butyrate ; 2-Propenyl isopentanoate ; Fema 2045 ; 2-Propenyl 3-methylbutanoate ; 2-Propenyl isovalerate .