Methyl 3-phenyl-2(R)-hydroxypropionate supplier

Name
METHYL (R)-2-HYDROXY-3-PHENYLPROPIONATE
EINECS
CAS No. 27000-00-6
Article Data37
CAS DataBase
Density 1.15 g/cm³
Solubility
Melting Point 47.0 to 51.0 °C
Formula C₁₀H₁₂O₃
Boiling Point 286.085 °C at 760 mmHg
Molecular Weight 180.203
Flash Point 119.965 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzenepropanoicacid, a-hydroxy-, methyl ester, (R)-;Lactic acid, 3-phenyl-, methyl ester, D- (8CI);(+)-3-Phenyllactic acid methylester;Methyl (R)-3-phenyllactate;Methyl 3-phenyl-2(R)-hydroxypropionate;Methyl D-phenyllactate;Methyl b-phenyl-D-lactate;
PSA 46.53000
LogP 0.76300

Methyl 3-phenyl-2(R)-hydroxypropionate Specification

The Methyl 3-phenyl-2(R)-hydroxypropionate with the CAS number 27000-00-6 is also called Benzenepropanoic acid, a-hydroxy-, methyl ester, (aR)-. The systematic name is methyl (2R)-2-hydroxy-3-phenylpropanoate. Its molecular formula is C₁₀H₁₂O₃.

The properties of the Methyl 3-phenyl-2(R)-hydroxypropionate are: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 82; (8)ACD/KOC (pH 7.4): 82; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 46.53 Å²; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 48.336 cm³; (15)Molar Volume: 156.629 cm³; (16)Polarizability: 19.162×10^-24cm³; (17)Surface Tension: 43.516 dyne/cm; (18)Enthalpy of Vaporization: 55.467 kJ/mol; (19)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@H](Cc1ccccc1)C(=O)OC
(2)InChI: InChI=1/C10H12O3/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3/t9-/m1/s1
(3)InChIKey: NMPPJJIBQQCOOI-SECBINFHBU

Product Name

METHYL (R)-2-HYDROXY-3-PHENYLPROPIONATE

Methyl 3-phenyl-2(R)-hydroxypropionate Specification

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