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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
- All
- Classifications
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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,11H2InChIKey
SESFRYSPDFLNCH-UHFFFAOYSA-NSmiles
O=C(OCc1ccccc1)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.