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Substance Name: Acetic acid, 2-phenylethyl ester
RN: 103-45-7
UNII: 67733846OW
InChIKey: MDHYEMXUFSJLGV-UHFFFAOYSA-N
Classification Codes
- Natural Product
- Skin / Eye Irritant
Molecular Formula
- C10-H12-O2
Molecular Weight
- 164.203
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- 2-Phenylethyl acetate
- Acetic acid, 2-phenylethyl ester
- Phenethyl acetate
Synonyms
- 2-Phenethyl acetate
- 2-Phenylethyl acetate
- 4-06-00-03073 (Beilstein Handbook Reference)
- Acetic acid, 2-phenylethyl ester
- Acetic acid, phenethyl ester
- AI3-03878
- Benzylcarbinyl acetate
- beta-Phenylethyl acetate
- BRN 0638179
- EC 203-113-5
- EINECS 203-113-5
- Ethanol, 2-phenyl-, acetate
- FEMA No. 2857
- NSC 71927
- Phenethyl acetate
- Phenethyl acetate (natural)
- Phenethyl alcohol, acetate
- UNII-67733846OW
Systematic Names
- Acetic acid, 2-phenylethyl ester
- Acetic acid, phenethyl ester
- Phenethyl acetate
Superlist Name
- Phenethyl acetate
Registry Numbers
CAS Registry Number
- 103-45-7
FDA UNII
- 67733846OW
System Generated Number
- 0000103457
Structure Descriptors
InChI
1S/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3InChIKey
MDHYEMXUFSJLGV-UHFFFAOYSA-NSmiles
c1(CCOC(C)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | oral | 3670mg/kg (3670mg/kg) | Voprosy Pitaniya. Problems of Nutrition. Vol. 33(5), Pg. 48, 1974. | |
| mouse | LD50 | oral | 3670mg/kg (3670mg/kg) | Voprosy Pitaniya. Problems of Nutrition. Vol. 33(5), Pg. 48, 1974. | |
| rabbit | LD50 | skin | 6210mg/kg (6210mg/kg) | Food and Cosmetics Toxicology. Vol. 12, Pg. 957, 1974. | |
| rat | LC50 | inhalation | > 500mg/m3 (500mg/m3) | BLOOD: NORMOCYTIC ANEMIA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 52(10), Pg. 83, 1987. |
| rat | LD50 | oral | 3670mg/kg (3670mg/kg) | Voprosy Pitaniya. Problems of Nutrition. Vol. 33(5), Pg. 48, 1974. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -3.11E+01 | deg C | EXP | |
| Boiling Point | 232.6 | deg C | EXP | |
| log P (octanol-water) | 2.3 | (none) | EXP | |
| Water Solubility | 711 | mg/L | 25 | EST |
| Henry's Law Constant | 1.88E-05 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 7.87E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.