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Substance Name: beta-Phellandrene
RN: 555-10-2
UNII: 2KK225M001
InChIKey: LFJQCDVYDGGFCH-UHFFFAOYSA-N

Molecular Formula

  • C10-H16

Molecular Weight

  • 136.236
 
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Names and Synonyms

Name of Substance

  • beta-Phellandrene

Synonyms

  • 2-p-Menthadiene
  • 3-Isopropyl-6-methylene-1-cyclohexene
  • 3-Methylene-6-(1-methylethyl)cyclohexene
  • 4-Isopropyl-1-methylene-2-cyclohexene
  • beta-Phellandrene
  • Cyclohexene, 3-methylene-6-(1-methylethyl)-
  • EINECS 209-081-9
  • HSDB 4080
  • NSC 53044
  • p-Mentha-1(7),2-diene
  • PHELLANDRENE, BETA
  • UNII-2KK225M001

Systematic Names

  • Cyclohexene, 3-methylene-6-(1-methylethyl)-
  • p-Mentha-1(7),2-diene

Registry Numbers

CAS Registry Number

  • 555-10-2

FDA UNII

  • 2KK225M001

Other Registry Number

  • 51941-36-7

System Generated Number

  • 0000555102

Structure Descriptors

InChI

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

InChIKey

LFJQCDVYDGGFCH-UHFFFAOYSA-N

Smiles

C([C@@H]1CCC(=C)C=C1)(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 171.5 deg C   EXP
log P (octanol-water) 4.700 (none)   EST
Water Solubility 2.450 mg/L 25 EST
Vapor Pressure 1.59 mm Hg 25 EXP
Henry's Law Constant 0.262 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.68E-10 cm3/molecule-sec 25 EXP

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