Products Categories
| CAS No.: | 125639-64-7 |
|---|---|
| Name: | ETHYL (S)-2-HYDROXY-4-PHENYLBUTYRATE |
| Article Data: | 78 |
| Molecular Structure: | |
|
|
|
| Formula: | C12H16O3 |
| Molecular Weight: | 208.257 |
| Synonyms: | Benzenebutanoicacid, a-hydroxy-, ethyl ester, (S)-;(S)-Ethyl 2-Hydroxy-4-phenylbutanoate;Ethyl (S)-a-hydroxybenzenebutanoate;ethyl (2S)-2-hydroxy-4-phenylbutanoate;benzenebutanoic acid, α-hydroxy-, ethyl ester, (alphaS)-;Ethyl (2S)-2-hydroxy-4-phenylbutanoate;Ethyl(S)-2-hydroxy-4-phenylbutyrate; |
| Density: | 1.098 g/cm3 |
| Boiling Point: | 330.936 °C at 760 mmHg |
| Flash Point: | 137.587 °C |
| Appearance: | slightly yellowish oil |
| PSA: | 46.53000 |
| LogP: | 1.54320 |
- 144851-82-1METHYL2-AMINO-3-FLUOROBENZOATE
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 173606-50-3BOC-10-AMINODECANOIC ACID
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
What can I do for you?
Get Best Price
Specification
The Benzenebutanoic acid, α-hydroxy-, ethyl ester, (αS)-, with the CAS registry number 125639-64-7, has the systematic name of ethyl (2S)-2-hydroxy-4-phenylbutanoate. It is a kind of slightly yellowish oil, and belongs to the following product categories: Alcohols, Hydroxy Esters and Derivatives; Chiral Compounds; API intermediates; Aromatics Compounds; Aromatics; Chiral Reagents; Intermediates. And the molecular formula of the chemical is C12H16O3.
The characteristics of Benzenebutanoic acid, α-hydroxy-, ethyl ester, (αS)- are as followings: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 20; (6)ACD/BCF (pH 7.4): 20; (7)ACD/KOC (pH 5.5): 298; (8)ACD/KOC (pH 7.4): 298; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 46.53 Å2; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 57.602 cm3; (15)Molar Volume: 189.642 cm3; (16)Polarizability: 22.835×10-24cm3; (17)Surface Tension: 41.679 dyne/cm; (18)Density: 1.098 g/cm3; (19)Flash Point: 137.587 °C; (20)Enthalpy of Vaporization: 60.543 kJ/mol; (21)Boiling Point: 330.936 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCOC(=O)[C@@H](O)CCc1ccccc1
(2)InChI: InChI=1/C12H16O3/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10/h3-7,11,13H,2,8-9H2,1H3/t11-/m0/s1
(3)InChIKey: ZJYKSSGYDPNKQS-NSHDSACABS