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Substance Name: Isoborneol
RN: 124-76-5
UNII: L88RA8N5EG
InChIKey: DTGKSKDOIYIVQL-MRTMQBJTSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C10-H18-O

Molecular Weight

  • 154.2512
 
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Names and Synonyms

Name of Substance

  • Isoborneol

Synonyms

  • 1,7,7-Trimethylbicyclo(2.2.1)heptan-2-ol, exo-
  • 2-Bornanol, exo-
  • 2-Camphanol, exo-
  • 2-exo-Bornyl alcohol
  • AI3-14113
  • Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, exo-
  • BRN 4126091
  • EINECS 204-712-4
  • exo-2-Hydroxy-1,7,7-trimethylnorbornane
  • Exoborneol
  • FEMA No. 2158
  • HSDB 2843
  • Isobomeol
  • Isoborneol
  • Isobornyl alcohol
  • Isocamphol
  • NSC 26350
  • UNII-L88RA8N5EG

Systematic Names

  • Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, (1R,2R,4R)-rel-
  • Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, exo-
  • exo-1,7,7-Trimethylbicyclo(2.2.1)heptan-2-ol
  • Isoborneol, DL-

Superlist Name

  • Isoborneol

Registry Numbers

CAS Registry Number

  • 124-76-5

FDA UNII

  • L88RA8N5EG

Other Registry Number

  • 24393-70-2

System Generated Number

  • 0000124765

Structure Descriptors

InChI

1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8-,10+/m1/s1

InChIKey

DTGKSKDOIYIVQL-MRTMQBJTSA-N

Smiles

CC1(C)[C@@H]2CC[C@@]1(C)[C@H](O)C2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03209,
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 531, 1979.
rat LD50 oral 5200mg/kg (5200mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 531, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 213 deg C   EXP
log P (octanol-water) 3.24 (none)   EXP
Water Solubility 1190 mg/L 25 EST
Vapor Pressure 0.035 mm Hg 25 EST
Henry's Law Constant 6.70E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.14E-11 cm3/molecule-sec 25 EST

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