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Substance Name: Acetic acid, 2-isopropyl-5-methyl-2-hexen-1-yl ester
RN: 40853-56-3
InChIKey: AOWLXZIJUIFJPM-KPKJPENVSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C12-H22-O2

Molecular Weight

  • 198.304
 
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Names and Synonyms

Synonyms

  • 2-Hexen-1-ol, 2-isopropyl-5-methyl-, acetate
  • 2-Isopropyl-5-methyl-2-hexen-1-yl acetate
  • 2-Isopropyl-5-methyl-2-hexene-1-yl acetate
  • 4-02-00-00196 (Beilstein Handbook Reference)
  • 4-Hexen-1-ol, 5-methyl-2-(1-methylethylidene)-, acetate, dihydro deriv.
  • 5-Methyl-2-(1-methylethyl)-2-hexen-1-yl acetate
  • BRN 1770843
  • EINECS 255-114-5
  • Isodihydro lavandulyl acetate

Systematic Names

  • 2-Hexen-1-ol, 5-methyl-2-(1-methylethyl)-, acetate
  • 2-Isopropyl-5-methylhex-2-enyl acetate
  • Acetic acid, 2-isopropyl-5-methyl-2-hexen-1-yl ester

Registry Numbers

CAS Registry Number

  • 40853-56-3

System Generated Number

  • 0040853563

Structure Descriptors

InChI

1S/C12H22O2/c1-9(2)6-7-12(10(3)4)8-14-11(5)13/h7,9-10H,6,8H2,1-5H3/b12-7+

InChIKey

AOWLXZIJUIFJPM-KPKJPENVSA-N

Smiles

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