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Substance Name: beta-Ocimene
RN: 13877-91-3
UNII: V96I2PX4L5
InChIKey: IHPKGUQCSIINRJ-CSKARUKUSA-N

Molecular Formula

  • C10-H16

Molecular Weight

  • 136.236
 
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Names and Synonyms

Name of Substance

  • beta-Ocimene

Synonyms

  • 1,3,6-Octatriene, 3,7-dimethyl-
  • 3,7-Dimethyl-1,3,6-octatriene
  • 3,7-Dimethyl-1,3,6-octatriene (natural)
  • EINECS 237-641-2
  • FEMA No. 3539
  • Ocimene, beta-
  • UNII-V96I2PX4L5

Systematic Names

  • 1,3,6-Octatriene, 3,7-dimethyl-
  • 3,7-Dimethylocta-1,3,6-triene

Superlist Name

  • beta-Ocimene

Registry Numbers

CAS Registry Number

  • 13877-91-3

FDA UNII

  • V96I2PX4L5

Other Registry Numbers

  • 11009-78-2
  • 11022-64-3
  • 1856-63-9

System Generated Number

  • 0013877913

Structure Descriptors

InChI

1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8+

InChIKey

IHPKGUQCSIINRJ-CSKARUKUSA-N

Smiles

C(=C\C\C=C(\C)C)(\C=C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.800 (none)   EST
Water Solubility 2.010 mg/L 25 EST
Vapor Pressure 2.680 mm Hg 25 EST
Henry's Law Constant 0.617 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.52E-10 cm3/molecule-sec 25 EXP

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