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Substance Name: Methyl 4-phenylbutyrate
RN: 2046-17-5
UNII: YMR11U800F
InChIKey: YRYZGVBKMWFWGT-UHFFFAOYSA-N
Molecular Formula
- C11-H14-O2
Molecular Weight
- 178.2296
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Names and Synonyms
Name of Substance
- Methyl 4-phenylbutyrate
Synonyms
- AI3-34132
- Benzenebutanoic acid, methyl ester
- Butyric acid, 4-phenyl-, methyl ester
- EINECS 218-067-1
- FEMA No. 2739
- Methyl 4-phenylbutanoate
- Methyl 4-phenylbutyrate
- Methyl benzenebutanoate
- Methyl gamma-phenylbutyrate
- NSC 133895
- UNII-YMR11U800F
Systematic Names
- Benzenebutanoic acid, methyl ester
- Methyl 4-phenylbutyrate
Superlist Name
- Methyl 4-phenylbutyrate
Registry Numbers
CAS Registry Number
- 2046-17-5
FDA UNII
- YMR11U800F
System Generated Number
- 0002046175
Structure Descriptors
InChI
InChI=1S/C11H14O2/c1-13-11(12)9-5-8-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3InChIKey
YRYZGVBKMWFWGT-UHFFFAOYSA-NSmiles
COC(=O)Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| log P (octanol-water) | 2.77 | (none) | EXP | |
| Water Solubility | 242 | mg/L | 25 | EST |
| Vapor Pressure | 0.024 | mm Hg | 25 | EST |
| Henry's Law Constant | 2.49E-05 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 7.98E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.