Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Allyl isovalerate
RN: 2835-39-4
UNII: 3551Z86V7T
InChIKey: HOMAGVUCNZNWBC-UHFFFAOYSA-N

Molecular Formula

  • C8-H14-O2

Molecular Weight

  • 142.1966
 

Classification Codes

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 3
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Allyl isovalerate

Synonyms

  • 2-Propenyl 3-methylbutanoate
  • 2-Propenyl isopentanoate
  • 2-Propenyl isovalerate
  • 3-Methylbutanoic acid, 2-propenyl ester
  • 3-Methylbutyric acid, allyl ester
  • 4-02-00-00899 (Beilstein Handbook Reference)
  • AI3-24271
  • Allyl 3-methylbutanoate
  • Allyl 3-methylbutyrate
  • Allyl isopentanoate
  • Allyl isovalerate
  • Allyl isovalerianate
  • BRN 1750520
  • Butanoic acid, 3-methyl-, 2-propenyl ester
  • Butyric acid, 3-methyl-, allyl ester
  • CCRIS 21
  • EINECS 220-609-7
  • FEMA No. 2045
  • HSDB 4183
  • Isovaleric acid, allyl ester
  • NCI-C54717
  • NSC 18606
  • UNII-3551Z86V7T

Systematic Names

  • Allyl isovalerate
  • Butanoic acid, 3-methyl-, 2-propen-1-yl ester
  • Butanoic acid, 3-methyl-, 2-propenyl ester
  • Isovaleric acid, allyl ester

Superlist Name

  • Allyl isovalerate

Registry Numbers

CAS Registry Number

  • 2835-39-4

FDA UNII

  • 3551Z86V7T

System Generated Number

  • 0002835394

Structure Descriptors

InChI

1S/C8H14O2/c1-4-5-10-8(9)6-7(2)3/h4,7H,1,5-6H2,2-3H3

InChIKey

HOMAGVUCNZNWBC-UHFFFAOYSA-N

Smiles

C(C(OCC=C)=O)C(C)C

Toxicity

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.