Benzeneacetic acid, a-hydroxy-a-methyl-, (aS)- supplier

Name
(S)-(+)-2-HYDROXY-2-PHENYLPROPIONIC ACID
EINECS 243-726-5
CAS No. 13113-71-8
Article Data34
CAS DataBase
Density 1.261 g/cm³
Solubility
Melting Point 112-115 °C
Formula C₉H₁₀O₃
Boiling Point 327.2 °C at 760 mmHg
Molecular Weight 166.177
Flash Point 165.9 °C
Transport Information
Appearance white fluffy fine crystalline powder
Safety 24/25
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms Benzeneaceticacid, a-hydroxy-a-methyl-, (S)-;Mandelic acid, a-methyl-, (S)-(+)- (8CI);(+)-2-Hydroxy-2-phenylpropionic acid;(+)-2-Phenyllactic acid;(+)-Atrolacticacid;(+)-a-Methylmandelic acid;(2S)-2-Hydroxy-2-phenylpropanoic acid;(2S)-2-Hydroxy-2-phenylpropionic acid;(S)-(+)-2-Hydroxy-2-phenylpropionic acid;(S)-(+)-Atrolactic acid;(S)-(+)-a-Methylmandelic acid;(S)-2-Hydroxy-2-phenylpropanoic acid;(S)-2-Phenyllactic acid;(S)-Atrolacticacid;(2S)-2-hydroxy-2-phenylpropanoic acid;Benzeneacetic acid, α-hydroxy-α-methyl-, (S)-;benzeneacetic acid, α-hydroxy-α-methyl-, (αS)-;
PSA 57.53000
LogP 0.97870

Benzeneacetic acid, a-hydroxy-a-methyl-, (aS)- Specification

The Benzeneacetic acid, a-hydroxy-a-methyl-, (aS)-, with the CAS registry number 13113-71-8, has the systematic name of (2S)-2-hydroxy-2-phenylpropanoic acid. And the molecular formula of this chemical is C₉H₁₀O₃. It is a kind of white fluffy fine crystalline powder, and while dealing with this chemical, you should avoid contacting with skin and eyes.

The physical properties of Benzeneacetic acid, a-hydroxy-a-methyl-, (aS)- are as following: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 35.53 Å²; (11)Index of Refraction: 1.568; (12)Molar Refractivity: 43.1 cm³; (13)Molar Volume: 131.7 cm³; (14)Polarizability: 17.08×10^-24cm³; (15)Surface Tension: 52.1 dyne/cm; (16)Density: 1.261 g/cm³; (17)Flash Point: 165.9 °C; (18)Enthalpy of Vaporization: 60.12 kJ/mol; (19)Boiling Point: 327.2 °C at 760 mmHg; (20)Vapour Pressure: 8.3E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@](O)(c1ccccc1)C
(2)InChI: InChI=1/C9H10O3/c1-9(12,8(10)11)7-5-3-2-4-6-7/h2-6,12H,1H3,(H,10,11)/t9-/m0/s1
(3)InChIKey: NWCHELUCVWSRRS-VIFPVBQEBR

Product Name

(S)-(+)-2-HYDROXY-2-PHENYLPROPIONIC ACID

Benzeneacetic acid, a-hydroxy-a-methyl-, (aS)- Specification

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