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Substance Name: Methyl phenylacetate
RN: 101-41-7
UNII: D4PDC41X96
InChIKey: CRZQGDNQQAALAY-UHFFFAOYSA-N
Classification Code
- Skin / Eye Irritant
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
Name of Substance
- Methyl phenylacetate
Synonyms
- Acetic acid, phenyl-, methyl ester
- AI3-01971
- Benzeneacetic acid, methyl ester
- EC 202-940-9
- EINECS 202-940-9
- FEMA No. 2733
- HSDB 8384
- Methyl 2-phenylacetate
- Methyl alpha-toluate
- Methyl benzeneacetate
- Methyl benzeneethanoate
- Methyl phenylacetate
- Methyl phenylethanoate
- NSC 401667
- Phenylacetic acid, methyl ester
- UNII-D4PDC41X96
Systematic Names
- Acetic acid, phenyl-, methyl ester
- Benzeneacetic acid, methyl ester
- Methyl phenylacetate
Superlist Name
- Methyl phenylacetate
Registry Numbers
CAS Registry Number
- 101-41-7
FDA UNII
- D4PDC41X96
System Generated Number
- 0000101417
Structure Descriptors
InChI
InChI=1S/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3InChIKey
CRZQGDNQQAALAY-UHFFFAOYSA-NSmiles
COC(=O)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rabbit | LD50 | skin | 2400mg/kg (2400mg/kg) | Food and Cosmetics Toxicology. Vol. 12, Pg. 941, 1974. | |
rat | LD50 | oral | 2550mg/kg (2550mg/kg) | Food and Cosmetics Toxicology. Vol. 12, Pg. 941, 1974. |
Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
Boiling Point | 216.5 | deg C | EXP | |
log P (octanol-water) | 1.83 | (none) | EXP | |
Water Solubility | 2070 | mg/L | 25 | EST |
Vapor Pressure | 0.164 | mm Hg | 25 | EST |
Henry's Law Constant | 1.42E-05 | atm-m3/mole | 25 | EST |
Atmospheric OH Rate Constant | 3.74E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.