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Substance Name: Myrcenyl acetate
RN: 1118-39-4
UNII: 4BS9397SE5
InChIKey: DCXXKSXLKWAZNO-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C12-H20-O2

Molecular Weight

  • 196.288
 
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Names and Synonyms

Name of Substance

  • Myrcenyl acetate

Synonyms

  • 2-Methyl-6-methylene-7-octen-2-yl acetate
  • 3-Methylene-7-methyl-1-octen-7-yl acetate
  • 4-02-00-00205 (Beilstein Handbook Reference)
  • Acetic acid, 2-methyl-6-methylene-7-octen-2-yl ester
  • Acetic acid, myrcenyl ester
  • BRN 1768049
  • EINECS 214-262-0
  • Myrcenyl acetate
  • UNII-4BS9397SE5

Systematic Names

  • 7-Octen-2-ol, 2-methyl-6-methylene-, 2-acetate
  • 7-Octen-2-ol, 2-methyl-6-methylene-, acetate
  • Myrcenyl acetate

Registry Numbers

CAS Registry Number

  • 1118-39-4

FDA UNII

  • 4BS9397SE5

System Generated Number

  • 0001118394

Structure Descriptors

InChI

1S/C12H20O2/c1-6-10(2)8-7-9-12(4,5)14-11(3)13/h6H,1-2,7-9H2,3-5H3

InChIKey

DCXXKSXLKWAZNO-UHFFFAOYSA-N

Smiles

C(C(OC(C)=O)(C)C)CCC(C=C)=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 14, Pg. 619, 1976.
rat LD50 oral 6300mg/kg (6300mg/kg)   Food and Cosmetics Toxicology. Vol. 14, Pg. 619, 1976.