Methyl L-3-phenyllactate supplier

Name
alpha-Hydroxybenzenepropanoic acid methyl ester
EINECS
CAS No. 13673-95-5
Article Data44
CAS DataBase
Density 1.150 g/cm³
Solubility
Melting Point 40-45 °C(lit.)
Formula C₁₀H₁₂O₃
Boiling Point 286.1 °C at 760 mmHg
Molecular Weight 180.203
Flash Point 120 °C
Transport Information
Appearance white to light yellow crystal powder
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzenepropanoicacid, a-hydroxy-, methyl ester, (S)-;Lactic acid, 3-phenyl-, methyl ester, L- (8CI);(-)-3-Phenyllactic acid methylester;(2S)-2-Hydroxy-3-phenylpropionic acid methyl ester;(S)-2-Hydroxy-3-phenylpropionic acid methyl ester;(S)-b-Phenyllactic acid methyl ester;(aS)-a-Hydroxybenzenepropanoic acid methyl ester;L-b-Phenyllactic acid methyl ester;Methyl (2S)-2-hydroxy-3-phenylpropanoate;Methyl(2S)-2-hydroxy-3-phenylpropanoate;Methyl (S)-(-)-3-phenyllactate;Methyl(S)-2-hydroxy-3-phenylpropanoate;Methyl (S)-3-phenyllactate;5-Amino-2,4,6-triiodo-isophthalic acid;Methyl (S)-a-hydroxy-b-phenylpropionate;Methyl3-phenyl-L-lactate;Methyl L-2-hydroxy-3-phenylpropionate;Methyl b-phenyl-L-lactate;Papulin;Papuline;
PSA 46.53000
LogP 0.76300

Methyl L-3-phenyllactate Specification

The Benzenepropanoic acid, α-hydroxy-, methyl ester, (αS)-, with the CAS registry number 13673-95-5, is also known as alpha-Hydroxybenzenepropanoic acid methyl ester. It belongs to the product category of Chiral. This chemical's molecular formula is C₁₀H₁₂O₃and formula weight is 180.2. What's more, its systematic name is called methyl (2S)-2-hydroxy-3-phenylpropanoate. This chemical is white to light yellow crystal powder.

Physical properties of Benzenepropanoic acid, α-hydroxy-, methyl ester, (αS)-: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.99; (4)ACD/LogD (pH 7.4): 0.99; (5)ACD/BCF (pH 5.5): 3.31; (6)ACD/BCF (pH 7.4): 3.31; (7)ACD/KOC (pH 5.5): 81.93; (8)ACD/KOC (pH 7.4): 81.93; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.529; (13)Molar Refractivity: 48.33 cm³; (14)Molar Volume: 156.6 cm³; (15)Surface Tension: 43.5 dyne/cm; (16)Density: 1.15 g/cm³; (17)Melting Point: 40-45 °C(lit.); (18)Flash Point: 120 °C; (19)Enthalpy of Vaporization: 55.47 kJ/mol; (20)Boiling Point: 286.1 °C at 760 mmHg; (21)Vapour Pressure: 0.00126 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)[C@@H](O)Cc1ccccc1
(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-/m0/s1
(3)InChIKey: NMPPJJIBQQCOOI-VIFPVBQEBR

Product Name

alpha-Hydroxybenzenepropanoic acid methyl ester

Methyl L-3-phenyllactate Specification

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