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| CAS No.: | 13113-71-8 |
|---|---|
| Name: | (S)-(+)-2-HYDROXY-2-PHENYLPROPIONIC ACID |
| Article Data: | 34 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C9H10O3 |
| Molecular Weight: | 166.177 |
| 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)-; |
| EINECS: | 243-726-5 |
| Density: | 1.261 g/cm3 |
| Melting Point: | 112-115 °C |
| Boiling Point: | 327.2 °C at 760 mmHg |
| Flash Point: | 165.9 °C |
| Appearance: | white fluffy fine crystalline powder |
| Hazard Symbols: | Xi |
| Risk Codes: | 36 |
| Safety: | 24/25 |
| PSA: | 57.53000 |
| LogP: | 0.97870 |
- 131138-20-0Benzene,1,2,3-trichloro-5-(2,4,5-trichlorophenoxy)-
- 131138-21-1Benzene,1,2,4-trichloro-5-(2,5-dichlorophenoxy)-
- 131142-74-0A-Nor-3-oxaestra-1,5(10),9(11)-trien-17-one,2-methyl-, (8a)-(9CI)
- 13114-27-7Zeatin mixed isomers
- 131-14-69,10-Anthracenedione,2,6-diamino-
- 13114-72-2Urea,N'-methyl-N,N-diphenyl-
- 13115-03-2Vitamin B12-57Co
- 13115-21-4Guanidine, N-hydroxy-
- 13115-43-02-Pyridineacetic acid
- 131154-73-9Tall oil, polymer with p-tert-butylphenol, formaldehyde, glycerol, maleic anhydride, phenol, phthalic anhydride and sorbitol
- Total:29 Page 1 of 1 1
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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