DL-3-Phenyllactic acid supplier

Name
DL-BETA-PHENYLLACTIC ACID
EINECS 212-580-4
CAS No. 828-01-3
Article Data148
CAS DataBase
Density 1.261 g/cm³
Solubility
Melting Point 95-98 °C
Formula C₉H₁₀O₃
Boiling Point 327.2 °C at 760 mmHg
Molecular Weight 166.177
Flash Point 165.9 °C
Transport Information
Appearance Off-white crystalline powder
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-hydroxy-2-phenylpropanoic acid;Lactic acid, 3-phenyl-, DL-(8CI);Lactic acid, b-phenyl- (2CI);(RS)-3-Phenyllactic acid;2-Hydroxy-2-phenyl-2-methylacetic acid;2-Hydroxy-2-phenylpropans?ure;Acide 2-hydroxy-2-phénylpropano?que;2-Hydroxy-3-phenylpropanoic acid;2-Hydroxy-3-phenylpropionic acid;3-Phenyl-2-hydroxypropanoic acid;3-Phenyllactic acid;Ba 2653;DL-2-Hydroxy-3-phenylpropionic acid;DL-3-Phenyllactic acid;DL-b-Phenyllactic acid;NSC 2627;a-Hydroxy-b-phenylpropionicacid;a-Hydroxybenzenepropanoic acid;b-Phenyllactic acid;
PSA 57.53000
LogP 0.67460

DL-3-Phenyllactic acid Specification

The Benzenepropanoic acid, α-hydroxy-, with the CAS registry number 828-01-3 and EINECS registry number 212-580-4, has the systematic name of 2-hydroxy-2-phenylpropanoic acid. It is a kind of off-white crystalline powder, and should be stored at 2-8°C. And the molecular formula of the 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 characteristics of Benzenepropanoic acid, α-hydroxy- are as followings: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.16; (4)ACD/LogD (pH 7.4): -2.38; (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: 3; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 43.1 cm³; (15)Molar Volume: 131.7 cm³; (16)Polarizability: 17.08×10^-24cm³; (17)Surface Tension: 52.1 dyne/cm; (18)Density: 1.261 g/cm³; (19)Flash Point: 165.9 °C; (20)Enthalpy of Vaporization: 60.12 kJ/mol; (21)Boiling Point: 327.2 °C at 760 mmHg; (22)Vapour Pressure: 8.3E-05 mmHg at 25°C.

Uses of Benzenepropanoic acid, α-hydroxy-: It can react with [1,4]dioxane-2,6-dione to produce 2-carboxymethoxyacetoxy-3-phenyl-propionic acid. This reaction will need reagent benzene. And the yield is about 80%.

Addtionally, the following datas could be converted into the 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)
(3)InChIKey: NWCHELUCVWSRRS-UHFFFAOYAX

Product Name

DL-BETA-PHENYLLACTIC ACID

DL-3-Phenyllactic acid Specification

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