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Substance Name: alpha-Cedrene
RN: 469-61-4
UNII: 50D4A81G8T
InChIKey: IRAQOCYXUMOFCW-OSFYFWSMSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C15-H24

Molecular Weight

  • 204.3546
 
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Names and Synonyms

Name of Substance

  • alpha-Cedrene

Synonyms

  • 3-05-00-01095 (Beilstein Handbook Reference)
  • alpha-Cedrene
  • BRN 3196861
  • Cedr-8-ene
  • EINECS 207-418-4
  • Laevo-alpha-cedrene
  • Levo-alpha-cedrene
  • UNII-50D4A81G8T

Systematic Names

  • (3R-(3alpha,3Abeta,7beta,8aalpha))-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene
  • 1H-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, (3R,3aS,7S,8aS)-

Superlist Name

  • alpha-Cedrene

Registry Numbers

CAS Registry Number

  • 469-61-4

FDA UNII

  • 50D4A81G8T

Other Registry Number

  • 1224161-35-6

System Generated Number

  • 0000469614

Structure Descriptors

InChI

1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12+,13+,15+/m1/s1

InChIKey

IRAQOCYXUMOFCW-OSFYFWSMSA-N

Smiles

C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@@]12CC=C3C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Atmospheric OH Rate Constant 6.70E-11 cm3/molecule-sec 23 EXP

Physical property data is provided to ChemIDplus by SRC, Inc.