|
|
|
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
* denotes mobile formatted website
Links to Resources
NLM Resources (File Locators)
Regulatory Agencies (Superlist Locators)
Other Resources (Internet Locators)
Search for this InChIKey on the Web
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
InChI=1S/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3InChIKey
MDHYEMXUFSJLGV-UHFFFAOYSA-NSmiles
CC(=O)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.