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Substance Name: Ethyl benzoate
RN: 93-89-0
UNII: J115BRJ15H
InChIKey: MTZQAGJQAFMTAQ-UHFFFAOYSA-N
Molecular Formula
- C9-H10-O2
Molecular Weight
- 150.176
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Results Name
- Ethyl benzoate
Name of Substance
- Ethyl benzoate
Synonyms
- AI3-01352
- Benzoic acid, ethyl ester
- Benzoic ether
- Benzoyl ethyl ether
- EC 202-284-3
- EINECS 202-284-3
- Ethyl benzenecarboxylate
- Ethyl benzoate
- Ethyl benzoate (natural)
- Ethylester kyseliny benzoove
- Ethylester kyseliny benzoove [Czech]
- FEMA No. 2422
- NSC 8884
- UNII-J115BRJ15H
Systematic Names
- Benzoic acid, ethyl ester
- Ethyl benzoate
Superlist Names
- Benzoic acid, ethyl ester
- Ethyl benzoate
Registry Numbers
CAS Registry Number
- 93-89-0
FDA UNII
- J115BRJ15H
System Generated Number
- 0000093890
Structure Descriptors
InChI
InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3InChIKey
MTZQAGJQAFMTAQ-UHFFFAOYSA-NSmiles
CCOC(=O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| cat | LDLo | skin | 10gm/kg (10000mg/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. |
| rabbit | LD50 | oral | 2630mg/kg (2630mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER BEHAVIORAL: MUSCLE WEAKNESS | Journal of Pharmacology and Experimental Therapeutics. Vol. 84, Pg. 358, 1945. |
| rat | LD50 | oral | 2100mg/kg (2100mg/kg) | SKIN AND APPENDAGES (SKIN): HAIR: OTHER LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: MUSCLE WEAKNESS | Journal of Pharmacology and Experimental Therapeutics. Vol. 84, Pg. 358, 1945. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -3.40E+01 | deg C | EXP | |
| Boiling Point | 212 | deg C | EXP | |
| log P (octanol-water) | 2.64 | (none) | EXP | |
| Water Solubility | 720 | mg/L | 25 | EXP |
| Vapor Pressure | 0.267 | mm Hg | 25 | EXP |
| Henry's Law Constant | 7.33E-05 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 2.29E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.