Product Name

  • Name

    ALLYL ISOVALERATE

  • EINECS
  • CAS No. 2835-39-4
  • Article Data4
  • CAS DataBase
  • Density 0.88 g/mL at 25oC(lit.)
  • Solubility
  • Melting Point
  • Formula C8H14 O2
  • Boiling Point 155oC(lit.)
  • Molecular Weight 142.198
  • Flash Point 139 °F
  • Transport Information
  • Appearance
  • 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.
  • Risk Codes 21/22-36/37/38
  • Molecular Structure Molecular Structure of 2835-39-4 (ALLYL ISOVALERATE)
  • Hazard Symbols Xn
  • Synonyms Butanoicacid, 3-methyl-, 2-propenyl ester (9CI); Isovaleric acid, allyl ester (8CI);Allyl isopentanoate; Allyl isovalerate; NSC 18606
  • PSA 26.30000
  • LogP 1.76170

ISOVALERIC ACID, ALLYL ESTER Chemical Properties

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

ISOVALERIC ACID, ALLYL ESTER 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.

ISOVALERIC ACID, ALLYL ESTER 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.

ISOVALERIC ACID, ALLYL ESTER 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
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

ISOVALERIC ACID, ALLYL ESTER 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 .

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