Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: beta-Pinene
RN: 127-91-3
UNII: 4MS8VHZ1HJ
InChIKey: WTARULDDTDQWMU-IUCAKERBSA-N

Note

  • Alpha-pinene is also available.

Molecular Formula

  • C10-H16

Molecular Weight

  • 136.2364
 

Classification Codes

Classification Code

  • Skin / Eye Irritant

Superlist Classification Code

  • TWA 20 ppm; Sensitizer; Not classifiable as a human carcinogen
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • beta-Pinene

Name of Substance

  • beta-Pinene
  • Terbenthene

Synonyms

  • 2(10)-Pinene
  • 2,2,6-Trimethylbicyclo(3.1.1)hept-2-ene
  • 6,6-Dimethyl-2-methylenebicyclo(3.1.1)heptane
  • 6,6-Dimethyl-2-methylenenorpinane
  • AI3-24483
  • beta-Pinene
  • beta-Pinene (natural)
  • Bicyclo(3.1.1)heptane, 6,6-dimethyl-2-methylene-
  • EINECS 204-872-5
  • EINECS 245-424-9
  • FEMA No. 2903
  • HSDB 5615
  • Monoterpenes
  • Nopinen
  • Nopinene
  • NSC 21447
  • PINENE, BETA
  • Pseudopinen
  • Pseudopinene
  • Rosemarel
  • Terebenthene
  • UNII-4MS8VHZ1HJ

Systematic Names

  • (1)-6,6-Dimethyl-2-methylenebicyclo(3.1.1)heptane
  • 6,6-Dimethyl-2-methylene-bicyclo(3.1.1)heptane
  • Bicyclo(3.1.1)heptane, 6,6-dimethyl-2-methylene-
  • Pin-2(10)-ene

Superlist Names

  • 2(10)-Pinene
  • beta-Pinene

Registry Numbers

CAS Registry Number

  • 127-91-3

FDA UNII

  • 4MS8VHZ1HJ

Other Registry Number

  • 23089-32-9

System Generated Number

  • 0000127913

Structure Descriptors

InChI

1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1

InChIKey

WTARULDDTDQWMU-IUCAKERBSA-N

Smiles

CC1(C)[C@H]2CCC(=C)[C@@H]1C2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 4700mg/kg (4700mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Food and Cosmetics Toxicology. Vol. 16, Pg. 859, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -6.15E+01 deg C   EXP
Boiling Point 166 deg C   EXP
log P (octanol-water) 4.16 (none)   EXP
Water Solubility 4.890 mg/L 25 EST
Vapor Pressure 2.93 mm Hg 25 EXP
Henry's Law Constant 0.161 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.89E-11 cm3/molecule-sec 25 EXP

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