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| CAS No.: | 20312-36-1 |
|---|---|
| Name: | L-(-)-3-Phenyllactic acid |
| Article Data: | 144 |
| Molecular Structure: | |
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| Formula: | C9H10O3 |
| Molecular Weight: | 166.177 |
| Synonyms: | Benzenepropanoicacid, α-hydroxy-, (S)-;Lactic acid,3-phenyl-, (S)- (8CI);(-)-2-Hydroxy-3-phenylpropanoic acid;(-)-2-Hydroxy-3-phenylpropionicacid;(-)-3-Phenyllactic acid;(-)-β-Phenyllactic acid;(2S)-2-Hydroxy-3-phenylpropionic acid;(S)-2-Hydroxy-3-phenylpropanoic acid;(S)-2-Hydroxy-3-phenylpropionic acid;(S)-3-Phenyllactic acid;(S)-Phenyllactic acid;(S)-b-Phenyllactic acid;3-(S)-Phenyl lactic acid;L-(-)-3-Phenyllactic acid;L-2-Hydroxy-3-phenylpropionic acid;L-3-Phenyllacticacid;L-Phenyllactic acid;L-β-Phenyllactic acid;S-(-)-3-Phenyllactic acid;beta-Phenyl-L-lactic acid; |
| EINECS: | 243-726-5 |
| Density: | 1.265 g/cm3 |
| Melting Point: | 123-125 °C |
| Boiling Point: | 331.6 °C at 760 mmHg |
| Flash Point: | 168.5 °C |
| Solubility: | soluble in water |
| Appearance: | white to light yellow crystal powder |
| Hazard Symbols: |
 T
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| Risk Codes: | 23/24/25-36/37/38 |
| Safety: | 22-24/25-45-36/37/39-26 |
| PSA: | 57.53000 |
| LogP: | 0.67460 |
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Specification
The Benzenepropanoic acid, α-hydroxy-, (αS)-, with the CAS registry number 20312-36-1 and EINECS registry number 243-726-5, has the systematic name of (2S)-2-hydroxy-3-phenylpropanoic acid. It is a kind of white to light yellow crystal powder, and belongs to the proudct category of Chiral chemicals. And the molecular formula of this chemical is C9H10O3. What's more, it should be stored at 2-8°C.
The physical properties of Benzenepropanoic acid, α-hydroxy-, (αS)- are as followings: (1)ACD/LogP: 1.05; (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: 4; (10)Polar Surface Area: 35.53 Å2; (11)Index of Refraction: 1.576; (12)Molar Refractivity: 43.49 cm3; (13)Molar Volume: 131.2 cm3; (14)Polarizability: 17.24×10-24cm3; (15)Surface Tension: 56.2 dyne/cm; (16)Density: 1.265 g/cm3; (17)Flash Point: 168.5 °C; (18)Enthalpy of Vaporization: 60.61 kJ/mol; (19)Boiling Point: 331.6 °C at 760 mmHg; (20)Vapour Pressure: 6.17E-05 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also toxic by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible); Do not breathe dust; Avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](O)Cc1ccccc1
(2)InChI: InChI=1/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1
(3)InChIKey: VOXXWSYKYCBWHO-QMMMGPOBBZ