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CAS No.: | 7326-19-4 |
---|---|
Name: | D-(+)-Phenyllactic acid |
Article Data: | 77 |
Molecular Structure: | |
Formula: | C9H10O3 |
Molecular Weight: | 166.177 |
Synonyms: | Benzenepropanoicacid, a-hydroxy-, (R)-;Lactic acid,3-phenyl-, (R)- (8CI);(+)-2-Hydroxy-3-phenylpropanoic acid;(+)-3-Phenyllactic acid;(+)-b-Phenyllactic acid;(2R)-2-Hydroxy-3-phenylpropionic acid;(R)-2-Hydroxy-3-phenylpropionic acid;(R)-3-Phenyllactic acid;(R)-a-Hydroxy-3-phenylpropionic acid;(R)-b-Phenyllactic acid;D-(+)-3-Phenyllactic acid;D-3-Phenyllacticacid;D-b-Phenyllactic acid; |
EINECS: | 230-803-3 |
Density: | 1.265 g/cm3 |
Melting Point: | 122-124 °C(lit.) |
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 |
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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The Benzenepropanoic acid, α-hydroxy-, (αR)-, with the CAS registry number 7326-19-4 and EINECS registry number 230-803-3, has the systematic name of (2R)-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, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.
The physical properties of Benzenepropanoic acid, α-hydroxy-, (αR)- are as followings: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.19; (4)ACD/LogD (pH 7.4): -2.55; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 43.49 cm3; (15)Molar Volume: 131.2 cm3; (16)Polarizability: 17.24×10-24cm3; (17)Surface Tension: 56.2 dyne/cm; (18)Density: 1.265 g/cm3; (19)Flash Point: 168.5 °C; (20)Enthalpy of Vaporization: 60.61 kJ/mol; (21)Boiling Point: 331.6 °C at 760 mmHg; (22)Vapour Pressure: 6.17E-05 mmHg at 25°C.
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-/m1/s1
(3)InChIKey: VOXXWSYKYCBWHO-MRVPVSSYBB