Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Prenyl acetate
RN: 1191-16-8
UNII: I7KOV03HGS
InChIKey: XXIKYCPRDXIMQM-UHFFFAOYSA-N

Classification Codes

  • Natural Product
  • Skin / Eye Irritant

Molecular Formula

  • C7-H12-O2

Molecular Weight

  • 128.17
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Prenyl acetate

Synonyms

  • 2-Buten-1-ol, 3-methyl-, acetate
  • 3,3-Dimethylallyl acetate
  • 3-Methyl-2-buten-1-ol, acetate
  • 3-Methyl-2-butenyl acetate
  • 4-02-00-00185 (Beilstein Handbook Reference)
  • BRN 1746265
  • Dimethylallyl acetate
  • EC 214-730-4
  • EINECS 214-730-4
  • Isopent-2-enyl acetate
  • Prenyl acetate
  • UNII-I7KOV03HGS

Systematic Names

  • 2-Buten-1-ol, 3-methyl-, 1-acetate
  • 2-Buten-1-ol, 3-methyl-, acetate
  • 3-Methyl-2-butenyl acetate

Registry Numbers

CAS Registry Number

  • 1191-16-8

FDA UNII

  • I7KOV03HGS

System Generated Number

  • 0001191168

Structure Descriptors

InChI

1S/C7H12O2/c1-6(2)4-5-9-7(3)8/h4H,5H2,1-3H3

InChIKey

XXIKYCPRDXIMQM-UHFFFAOYSA-N

Smiles

C(=C/COC(C)=O)(\C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 817, 1982.
rat LD50 oral 2900mg/kg (2900mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
National Technical Information Service. Vol. OTS0571762,