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Substance Name: Benzoin
RN: 119-53-9
UNII: L7J6A1NE81
InChIKey: ISAOCJYIOMOJEB-UHFFFAOYSA-N

Note

  • A white crystalline compound prepared by condensation of benzaldehyde in potassium cyanide and used in organic syntheses. This should not be confused with benzoin gum from STYRAX.

Molecular Formula

  • C14-H12-O2

Molecular Weight

  • 212.2468
 

Classification Codes

  • Mutation Data
  • Tumor Data

Names and Synonyms

Name of Substance

  • Benzoin

MeSH Heading

  • Benzoin

Synonyms

  • (+-)-Benzoin
  • 2-Hydroxy-1,2-diphenylethanone
  • 2-Hydroxy-2-phenylacetophenone
  • 4-08-00-01279 (Beilstein Handbook Reference)
  • Acetophenone, 2-hydroxy-2-phenyl-
  • Aerozoin
  • AI3-00851
  • alpha-Hydroxy-alpha-phenylacetophenone
  • alpha-Hydroxybenzyl phenyl ketone
  • Benzoin
  • Benzoin extract (resinoid)
  • Benzoylphenylcarbinol
  • Bitter almond oil camphor
  • Bitter-almond-oil camphor
  • BRN 0391839
  • CCRIS 6696
  • CCRIS 75
  • CCRIS 9123
  • EC 204-331-3
  • EINECS 204-331-3
  • EINECS 209-441-5
  • Ethanone, 2-hydroxy-1,2-diphenyl-
  • FEMA No. 2132
  • Fenyl-alpha-hydroxybenzylketon
  • Fenyl-alpha-hydroxybenzylketon [Czech]
  • HSDB 384
  • Ketone, alpha-hydroxybenzyl phenyl
  • NCI-C50011
  • NSC 8082
  • Phenyl-alpha-hydroxybenzyl ketone
  • Phenylbenzoyl carbinol
  • UNII-L7J6A1NE81
  • WY 42956
  • WY-42956

Systematic Names

  • (1)-2-Hydroxy-1,2-diphenylethan-1-one
  • Benzoin
  • Benzoin (VAN) (8CI)
  • Ethanone, 2-hydroxy-1,2-diphenyl-

Superlist Name

  • Benzoin

Registry Numbers

CAS Registry Number

  • 119-53-9

FDA UNII

  • L7J6A1NE81

Other Registry Number

  • 579-44-2

System Generated Number

  • 0000119539

Structure Descriptors

InChI

1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H

InChIKey

ISAOCJYIOMOJEB-UHFFFAOYSA-N

Smiles

c1([C@@H](C(c2ccccc2)=O)O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 3gm/kg (3000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 15, Pg. 359, 1984.
rabbit LD50 skin 8870mg/kg (8870mg/kg)   Food and Cosmetics Toxicology. Vol. 11, Pg. 871, 1973.
rat LD50 oral 10gm/kg (10000mg/kg)   Food and Cosmetics Toxicology. Vol. 11, Pg. 871, 1973.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 137 deg C   EXP
Boiling Point 344 deg C   EXP
log P (octanol-water) 1.840 (none)   EST
Water Solubility 300 mg/L 25 EXP
Henry's Law Constant 1.24E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.16E-11 cm3/molecule-sec 25 EST

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