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Substance Name: Phenyl ethyl ketone
RN: 93-55-0
UNII: E599A8OKQH
InChIKey: KRIOVPPHQSLHCZ-UHFFFAOYSA-N
Classification Code
- Skin / Eye Irritant
Molecular Formula
- C9-H10-O
Molecular Weight
- 134.177
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- Phenyl ethyl ketone
Synonyms
- 1-Phenyl-1-propanone
- 1-Propanone, 1-phenyl-
- 4-07-00-00680 (Beilstein Handbook Reference)
- AI3-00951
- BRN 0606215
- EC 202-257-6
- EINECS 202-257-6
- Ethyl phenyl ketone
- FEMA No. 3469
- HSDB 1177
- Ketone, ethyl phenyl
- NSC 16937
- Phenetol
- Phenyl ethyl ketone
- Propionylbenzene
- Propiophenone
- UNII-E599A8OKQH
- USAF EK-1235
Systematic Names
- 1-Propanone, 1-phenyl-
- Propiophenone
Superlist Name
- Propiophenone
Registry Numbers
CAS Registry Number
- 93-55-0
FDA UNII
- E599A8OKQH
System Generated Number
- 0000093550
Structure Descriptors
InChI
InChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3InChIKey
KRIOVPPHQSLHCZ-UHFFFAOYSA-NSmiles
CCC(=O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 100mg/kg (100mg/kg) | National Technical Information Service. Vol. AD277-689, | |
| mouse | LD50 | subcutaneous | 2250mg/kg (2250mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 5, Pg. 559, 1955. | |
| rabbit | LD50 | skin | 4490uL/kg (4.49mL/kg) | Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974. | |
| rat | LD50 | oral | 4490uL/kg (4.49mL/kg) | Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | 18.6 | deg C | EXP | |
| Boiling Point | 217.5 | deg C | EXP | |
| log P (octanol-water) | 2.19 | (none) | EXP | |
| Water Solubility | 2000 | mg/L | 20 | EXP |
| Vapor Pressure | 0.17 | mm Hg | 25 | EXP |
| Henry's Law Constant | 1.50E-05 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 3.01E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.