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Substance Name: alpha-Thujene
RN: 2867-05-2
UNII: U9HIP11C7C
InChIKey: KQAZVFVOEIRWHN-UWVGGRQHSA-N

Note

  • Volatile oil constituent of Monodora myristica (Gaertn) Dunal.

Molecular Formula

  • C10-H16

Molecular Weight

  • 136.2364
 
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Names and Synonyms

Results Name

  • alpha-Thujene

Name of Substance

  • alpha-Thujene, (+/-)-

Synonyms

  • alpha-Thujene
  • EINECS 220-686-7
  • UNII-U9HIP11C7C

Systematic Names

  • 5-Isopropyl-2-methylbicyclo(3.1.0)hex-2-ene
  • Bicyclo(3.1.0)hex-2-ene, 2-methyl-5-(1-methylethyl)-

Registry Numbers

CAS Registry Number

  • 2867-05-2

FDA UNII

  • U9HIP11C7C

Other Registry Numbers

  • 1406-51-5
  • 75715-79-6

System Generated Number

  • 0002867052

Structure Descriptors

InChI

1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4,7,9H,5-6H2,1-3H3/t9-,10-/m0/s1

InChIKey

KQAZVFVOEIRWHN-UWVGGRQHSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 151 deg C   EXP
log P (octanol-water) 4.610 (none)   EST
Atmospheric OH Rate Constant 9.06E-11 cm3/molecule-sec 25 EST

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