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Substance Name: Phenyl acetate
RN: 122-79-2
UNII: 355G9R500Y
InChIKey: IPBVNPXQWQGGJP-UHFFFAOYSA-N
Note
- The ester formed between phenol and acetic acid. Don't confuse with phenylacetic acid derivatives listed under PHENYLACETATES.
Molecular Formula
- C8-H8-O2
Molecular Weight
- 136.1492
- All
- Classifications
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
Classification Code
- Skin / Eye Irritant
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Names and Synonyms
Name of Substance
- Phenyl acetate
MeSH Heading
- Acetates
Synonyms
- 4-06-00-00613 (Beilstein Handbook Reference)
- Acetic acid, phenyl ester
- Acetyl phenol
- Acetylphenol
- AI3-01972
- BRN 0636458
- EC 204-575-0
- EINECS 204-575-0
- Fenylester kyseliny octove
- Fenylester kyseliny octove [Czech]
- HSDB 2667
- NSC 27795
- o-Acetylphenol
- Phenol acetate
- Phenyl acetate
- Phenylacetate
- UNII-355G9R500Y
Systematic Names
- Acetic acid, phenyl ester
- Phenyl acetate
Registry Numbers
CAS Registry Number
- 122-79-2
FDA UNII
- 355G9R500Y
System Generated Number
- 0000122792
Structure Descriptors
InChI
InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3InChIKey
IPBVNPXQWQGGJP-UHFFFAOYSA-NSmiles
CC(=O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | 8mL/kg (8mL/kg) | Union Carbide Data Sheet. Vol. 11/4/1964, | |
| rat | LD50 | oral | 1630uL/kg (1.63mL/kg) | American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -3.00E+01 | deg C | EXP | |
| Boiling Point | 196 | deg C | EXP | |
| log P (octanol-water) | 1.49 | (none) | EXP | |
| Water Solubility | 4640 | mg/L | 25 | EST |
| Henry's Law Constant | 6.48E-05 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 2.05E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.