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Substance Name: 3-Thujol
RN: 21653-20-3
UNII: 193IW486Z8
InChIKey: DZVXRFMREAADPP-IMSYWVGJSA-N

Molecular Formula

  • C10-H18-O

Molecular Weight

  • 154.2512
 
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Names and Synonyms

Name of Substance

  • 3-Thujol

Synonyms

  • (-)-Thujol
  • EINECS 244-504-0
  • Thujyl alcohol
  • UNII-193IW486Z8

Systematic Names

  • (1S-(1alpha,3alpha,4alpha,5alpha))-4-Methyl-1-(1-methylethyl)bicyclo(3.1.0)hexan-3-ol
  • Bicyclo(3.1.0)hexan-3-ol, 4-methyl-1-(1-methylethyl)-, (1S,3S,4R,5R)-

Superlist Name

  • Thujyl alcohol

Registry Numbers

CAS Registry Number

  • 21653-20-3

FDA UNII

  • 193IW486Z8

System Generated Number

  • 0021653203

Structure Descriptors

InChI

1S/C10H18O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-9,11H,4-5H2,1-3H3/t7-,8-,9+,10+/m1/s1

InChIKey

DZVXRFMREAADPP-IMSYWVGJSA-N

Smiles

CC(C)[C@]12C[C@H](O)[C@H](C)[C@H]1C2