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Substance Name: Benzyl benzoate [USP:JAN]
RN: 120-51-4
UNII: N863NB338G
InChIKey: SESFRYSPDFLNCH-UHFFFAOYSA-N

Note

  • Acarosan, a moist powder composed of wetted cellulose and benzyl benzoate, is used on carpets as an acaricide.

Molecular Formula

  • C14-H12-O2

Molecular Weight

  • 212.2468
 

Classification Codes

  • Acaricide
  • Agricultural Chemical
  • Drug / Therapeutic Agent
  • Insect Attractant, Repellent and Chemosterilant
  • Insecticides
  • Natural Product
  • Pesticides
  • Pharmaceutic Necessity for Dimercaprol (Injection)
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Names and Synonyms

Name of Substance

  • Benylate
  • Benzoic acid, benzyl ester
  • Benzoic acid, phenylmethyl ester
  • Benzyl benzoate
  • Benzyl benzoate [USP:JAN]
  • Phenylmethyl benzoate

Synonyms

  • 4-09-00-00307 (Beilstein Handbook Reference)
  • AI3-00523
  • Antiscabiosum
  • Ascabin
  • Ascabiol
  • Benylate
  • Benzoesaeurebenzylester
  • Benzoic acid, benzyl ester
  • Benzoic acid, phenylmethyl ester
  • Benzyl alcohol benzoic ester
  • Benzyl benzenecarboxylate
  • Benzyl benzoate
  • Benzyl benzoate (natural)
  • Benzyl phenylformate
  • Benzylester kyseliny benzoove
  • Benzylester kyseliny benzoove [Czech]
  • Benzylets
  • Benzylis benzoas
  • Benzylum benzoicum
  • BRN 2049280
  • Caswell No. 082
  • Colebenz
  • EC 204-402-9
  • EINECS 204-402-9
  • EPA Pesticide Chemical Code 009501
  • FEMA No. 2138
  • FEMA Number 2138
  • HSDB 208
  • Novoscabin
  • NSC 8081
  • Peruscabin
  • Peruscabina
  • Scabagen
  • Scabanca
  • Scabide
  • Scabiozon
  • Scabitox
  • Scobenol
  • Spasmodin
  • UNII-N863NB338G
  • Vanzoate

Systematic Names

  • Benzoic acid, benzyl ester
  • Benzoic acid, phenylmethyl ester
  • Benzyl benzoate
  • Benzylbenzenecarboxylate

Superlist Names

  • Benzoic acid, benzyl ester
  • Benzyl benzoate

Registry Numbers

CAS Registry Number

  • 120-51-4

FDA UNII

  • N863NB338G

System Generated Number

  • 0000120514

Structure Descriptors

InChI

InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2

InChIKey

SESFRYSPDFLNCH-UHFFFAOYSA-N

Smiles

O=C(OCc1ccccc1)c2ccccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 oral 2240mg/kg (2240mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

BEHAVIORAL: TREMOR		 Journal of Pharmacology and Experimental Therapeutics. Vol. 84, Pg. 358, 1945.
dog LD50 oral > 22440mg/kg (22440mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 84, Pg. 358, 1945.
guinea pig LD50 oral 1mL/kg (1mL/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.
mouse LD50 intraperitoneal > 500mg/kg (500mg/kg)   "Industrial Hygiene and Toxicology," 2nd ed., Patty, F.A., ed., New York, John Wiley & Sons, Inc., 1958-63Vol. 2, Pg. 1897, 1963.
mouse LD50 oral 1400uL/kg (1.4mL/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.
rabbit LD50 oral 1680mg/kg (1680mg/kg)   Food and Cosmetics Toxicology. Vol. 11, Pg. 1015, 1973.
rabbit LD50 skin 4gm/kg (4000mg/kg)   Food and Cosmetics Toxicology. Vol. 11, Pg. 1015, 1973.
rat LD50 oral 1700uL/kg (1.7mL/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.
rat LD50 skin 4mL/kg (4mL/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 21 deg C   EXP
Boiling Point 323.5 deg C   EXP
log P (octanol-water) 3.97 (none)   EXP
Water Solubility 15.4 mg/L 25 EST
Vapor Pressure 2.24E-04 mm Hg 25 EXP
Henry's Law Constant 2.80E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.97E-12 cm3/molecule-sec 25 EST

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