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

Note

  • Colorless liquid with a citrus-like odor; found in large number of oils; the most common terpene and is produced by hundreds of plants; dissolving agent for gall stones & gutta-percha; used in surfactant as a penetration enhancer.

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

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

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

C([C@@H]1CCC(C)=CC1)(C)=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.