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(±)-3-Phenyllactic acid

(±)-3-Phenyllactic acid structure

CAS No:
828-01-3
Formula:
C9H10O3
Chemical Name:
(±)-3-Phenyllactic acid
Synonyms:
Benzenepropanoic acid,α-hydroxy-;Lactic acid,3-phenyl-,DL-;Benzenepropanoic acid,α-hydroxy-,(±)-;Lactic acid,β-phenyl-;α-Hydroxybenzenepropanoic acid;DL-β-Phenyllactic acid;Ba 2653;DL-3-Phenyllactic acid;(±)-3-Phenyllactic acid;DL-2-Hydroxy-3-phenylpropionic acid;(RS)-3-Phenyllactic acid;3-Phenyllactic acid;β-Phenyllactic acid;2-Hydroxy-3-phenylpropionic acid;α-Hydroxy-β-phenylpropionic acid;3-Phenyl-2-hydroxypropanoic acid;(±)-β-Phenyllactic acid;2-Hydroxy-3-phenylpropanoic acid;NSC 2627;(±)-2-Hydroxy-3-phenylpropanoic acid;α-Hydroxyphenylpropanoic acid;dl-Phenyllactic acid;156-05-8

Description

DL-3-Phenyllactic acid is a broad-spectrum antimicrobial compound.

Solid

3-phenyllactic acid is a 2-hydroxy monocarboxylic acid that is lactic acid in which one of the methyl hydrogens is substituted by a phenyl group. It has a role as a human metabolite. It derives from a rac-lactic acid. It is a conjugate acid of a 3-phenyllactate.

(±)-3-Phenyllactic acid Basic Attributes

Molecular Weight：

166.174

Exact Mass：

166.17

EC Number：

212-580-4

NSC Number：

2627

HScode：

2918199090

Characteristics

PSA：

57.53000

XLogP3：

1.05

Appearance：

Solid

Density：

1.3±0.1 g/cm3

Melting Point：

98 °C

Boiling Point：

136 °C @ Press: 0.2 Torr

Flash Point：

168.5±18.8 °C

Refractive Index：

1.577

Water Solubility：

6.421e+004 mg/L @ 25 °C (est)

Storage Conditions：

2-8ºC

Collision Cross Section：

137.8 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|134.74 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

S22-S24/25

Precautionary statement(s)：

P264, P280, P305+P351+P338, P33, P313

Hazard Statements：

H319

GHS Classification：

|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 4 companies from 1 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

3-phenyllactate

(±)-3-Phenyllactic acid Use and Manufacturing

Manufacturing Info：

Benzenepropanoic acid, .alpha.-hydroxy-: INACTIVE

Computed Properties

Molecular Weight:166.17
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:166.062994177
Monoisotopic Mass:166.062994177
Topological Polar Surface Area:57.5
Heavy Atom Count:12
Complexity:150
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (±)-3-Phenyllactic acid

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

(±)-3-Phenyllactic acid

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