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Substance Name: 3-Carene
RN: 13466-78-9
UNII: H2M15SNR6N
InChIKey: BQOFWKZOCNGFEC-DTWKUNHWSA-N

Molecular Formula

  • C10-H16

Molecular Weight

  • 136.2364
 

Classification Codes

Classification Codes

  • Natural Product
  • Skin / Eye Irritant

Superlist Classification Code

  • TWA: 20 ppm; Sensitizer; Not classifiable as a human carcinogen
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Names and Synonyms

Name of Substance

  • 3-Carene

Synonyms

  • (+-)-3-Carene
  • (+-)-delta3-Carene
  • 2-05-00-00095 (Beilstein Handbook Reference)
  • 3,7,7-Trimethylbicyclo(4.1.0)hept-3-ene
  • 3-Carene
  • 3-Karen
  • 3-Karen [Czech]
  • 3-Norcarene, 3,7,7-trimethyl-
  • BRN 1902766
  • delta(sup 3)-Carene
  • EC 236-719-3
  • EINECS 236-719-3
  • Monoterpenes
  • S-3-Carene
  • UNII-H2M15SNR6N

Systematic Names

  • 3,7,7-Trimethylbicyclo(4.1.0)hept-3-ene
  • 3-Carene
  • Bicyclo(4.1.0)hept-3-ene, 3,7,7-trimethyl-

Superlist Name

  • 3-Carene

Registry Numbers

CAS Registry Number

  • 13466-78-9

FDA UNII

  • H2M15SNR6N

Other Registry Number

  • 116783-27-8

System Generated Number

  • 0013466789

Structure Descriptors

InChI

1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9+/m0/s1

InChIKey

BQOFWKZOCNGFEC-DTWKUNHWSA-N

Smiles

CC1=CC[C@H]2[C@@H](C1)C2(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 4800mg/kg (4800mg/kg)   Food and Cosmetics Toxicology. Vol. 11, Pg. 1053, 1973.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
Boiling Point 170 deg C   EXP
log P (octanol-water) 4.38 (none)   EXP
Water Solubility 2.910 mg/L 25 EST
Vapor Pressure 3.720 mm Hg 25 EST
Henry's Law Constant 0.107 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.80E-11 cm3/molecule-sec 25 EXP

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