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Substance Name: Terpinyl isobutyrate
RN: 7774-65-4
UNII: Z55SZR66DG
InChIKey: SMQUXKIIXFOJKI-UHFFFAOYSA-N

Molecular Formula

  • C14-H24-O2

Molecular Weight

  • 224.3416
 
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Names and Synonyms

Results Name

  • Terpinyl isobutyrate

Name of Substance

  • Terpinyl isobutyrate

Synonyms

  • 1-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl 2-methylpropanoate
  • 2-06-00-00067 (Beilstein Handbook Reference)
  • 2-Methylpropanoic acid 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester
  • BRN 3129659
  • EINECS 231-878-5
  • FEMA No. 3050
  • p-Menth-1-en-8-yl isobutyrate
  • Propanoic acid, 2-methyl-, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester
  • Terpinyl isobutyrate
  • UNII-Z55SZR66DG

Systematic Names

  • 1-Methyl-1-(4-methylcyclohex-3-enyl)ethyl isobutyrate
  • Propanoic acid, 2-methyl-, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester

Superlist Name

  • Terpinyl isobutyrate

Registry Numbers

CAS Registry Number

  • 7774-65-4

FDA UNII

  • Z55SZR66DG

Other Registry Number

  • 1334-93-6

System Generated Number

  • 0007774654

Structure Descriptors

InChI

1S/C14H24O2/c1-10(2)13(15)16-14(4,5)12-8-6-11(3)7-9-12/h6,10,12H,7-9H2,1-5H3

InChIKey

SMQUXKIIXFOJKI-UHFFFAOYSA-N

Smiles

C(=O)(OC(C1CC=C(CC1)C)(C)C)C(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. 26, Pg. 409, 1988.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 409, 1988.