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Substance Name: Limonene
RN: 138-86-3
UNII: 9MC3I34447
InChIKey: XMGQYMWWDOXHJM-UHFFFAOYSA-N

Note

  • A naturally-occurring class of MONOTERPENES which occur as a clear colorless liquid at room temperature. Limonene is the major component in the oil of oranges which has many uses, including as flavor and fragrance. It is recognized as safe in food by the Food and Drug Administration (FDA).

Molecular Formula

  • C10-H16

Molecular Weight

  • 136.236
 

Classification Code

  • Skin / Eye Irritant

Names and Synonyms

Name of Substance

  • 1-Methyl-4-(1-methylethenyl)cyclohexene
  • Cyclohexene, 1-methyl-4-(1-methylethenyl)-
  • Dipentene
  • Limonene

MeSH Heading

  • Limonene

Synonyms

  • (+-)-alpha-Limonene
  • (+-)-Dipentene
  • (+-)-Linonene
  • 1,8(9)-p-Menthadiene
  • 1,8-p-Menthadiene
  • 1-Methyl-4-(1-methylethenyl)cyclohexene
  • 1-Methyl-4-isopropenyl-1-cyclohexene
  • 1-Methyl-p-isopropenyl-1-cyclohexene
  • 4-Isopropenyl-1-methyl-1-cyclohexene
  • Acintene DP
  • Acintene DP dipentene
  • AI3-00739
  • alpha-Limonene
  • Cajeputen
  • Cajeputene
  • Caswell No. 526
  • Cinen
  • Cinene
  • Cyclohexene, 1-methyl-4-(1-methylethenyl)-
  • d,l-Limonene
  • delta-1,8-Terpodiene
  • Di-p-mentha-1,8-diene
  • Dipanol
  • Dipenten
  • Dipentene
  • Dipentene (+-)
  • Dipentene 200
  • DL-4-Isopropenyl-1-methylcyclohexene
  • DL-Limonene
  • EINECS 205-341-0
  • EINECS 231-732-0
  • EPA Pesticide Chemical Code 079701
  • Eulimen
  • Flavor orange
  • Goldflush II
  • HSDB 1809
  • Inactive limonene
  • Kautschin
  • Limonen
  • Limonene
  • Mentha-1,8-diene (DL)
  • Nesol
  • NSC 21446
  • NSC 844
  • Orange flavor
  • p-Mentha-1,8-diene, (+-)-
  • p-Mentha-1,8-diene, DL-
  • PC 560
  • UNII-9MC3I34447
  • Unitene

Systematic Names

  • (1)-1-Methyl-4-(1-methylvinyl)cyclohexene
  • Cyclohexene, 1-methyl-4-(1-methylethenyl)-
  • d(R)-4-Isopropenyl-1-methylcyclohexene
  • Dipentene, crude
  • p-Mentha-1,8-diene

Superlist Names

  • alpha-Limonene
  • Dipentene
  • Dipentene [UN2052] [Flammable liquid]
  • Limonene
  • Limonene, dl-
  • UN2052

Registry Numbers

CAS Registry Number

  • 138-86-3

FDA UNII

  • 9MC3I34447

Other Registry Numbers

  • 555-08-8
  • 7705-14-8
  • 8022-90-0
  • 8050-32-6

System Generated Number

  • 0000138863

Structure Descriptors

InChI

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

InChIKey

XMGQYMWWDOXHJM-UHFFFAOYSA-N

Smiles

CC(=C)C1CCC(=CC1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LDLo unreported 4600mg/kg (4600mg/kg)   Reviews of Environmental Contamination and Toxicology. Vol. 113, Pg. 47, 1990.
mouse LD50 intravenous 1010uL/kg (1.01mL/kg)   Zhongguo Yaoxue Zazhi. Chinese Pharmacuetical Journal. Vol. 24, Pg. 700, 1989.
mouse LD50 oral 5550uL/kg (5.55mL/kg)   Zhongguo Yaoxue Zazhi. Chinese Pharmacuetical Journal. Vol. 24, Pg. 700, 1989.
rat LD50 oral 5300mg/kg (5300mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 703, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -9.50E+01 deg C   EXP
Boiling Point 176 deg C   EXP
log P (octanol-water) 4.57 (none)   EXP
Water Solubility 13.8 mg/L 25 EXP
Vapor Pressure 1.55 mm Hg 25 EXP
Henry's Law Constant 0.032 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.49E-10 cm3/molecule-sec 35 EXP

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