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Substance Name: Myrtenyl acetate
RN: 1079-01-2
UNII: TI50YAB469
InChIKey: BKATZVAUANSCKN-GHMZBOCLSA-N

Molecular Formula

  • C12-H18-O2

Molecular Weight

  • 194.2722
 
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Names and Synonyms

Name of Substance

  • Myrtenyl acetate

Synonyms

  • (1S)-6,6-Dimethylbicyclo(3.1.1)hept-2-ene-2-methanol acetate
  • 2-Pinen-10-ol, acetate
  • 2-Pinen-10-yl acetate
  • Bicyclo(3.1.1)hept-2-ene-2-methanol, 6,6-dimethyl-, acetate, (1S)-
  • EINECS 214-088-5
  • FEMA No. 3765
  • Myrtenyl acetate
  • UNII-TI50YAB469

Systematic Names

  • (1S)-(6,6-Dimethylbicyclo(3.1.1)hept-2-en-2-yl)methyl acetate
  • 2-Pinen-10-ol, acetate (6CI,7CI,8CI)
  • Bicyclo(3.1.1)hept-2-ene-2-methanol, 6,6-dimethyl-, 2-acetate, (1S,5R)-
  • Bicyclo(3.1.1)hept-2-ene-2-methanol, 6,6-dimethyl-, acetate, (1S,5R)-

Superlist Name

  • Myrtenyl acetate

Registry Numbers

CAS Registry Number

  • 1079-01-2

FDA UNII

  • TI50YAB469

System Generated Number

  • 0001079012

Structure Descriptors

InChI

InChI=1S/C12H18O2/c1-8(13)14-7-9-4-5-10-6-11(9)12(10,2)3/h4,10-11H,5-7H2,1-3H3/t10-,11-/m1/s1

InChIKey

BKATZVAUANSCKN-GHMZBOCLSA-N

Smiles

CC(=O)OCC1=CC[C@@H]2C[C@H]1C2(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LDLo skin 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 389, 1988.
rat LD50 oral 2600mg/kg (2600mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 389, 1988.