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(S)-Mandelic acid

(S)-Mandelic acid structure

CAS No:
17199-29-0
Formula:
C8H8O3
Chemical Name:
(S)-Mandelic acid
Synonyms:
Benzeneacetic acid,α-hydroxy-,(αS)-;Mandelic acid,L-(+)-;Benzeneacetic acid,α-hydroxy-,(S)-;(αS)-α-Hydroxybenzeneacetic acid;L-Mandelic acid;(S)-Mandelic acid;(+)-Mandelic acid;(S)-(+)-Mandelic acid;(+)-(S)-Mandelic acid;(S)-α-Hydroxybenzeneacetic acid;L-(+)-Mandelic acid;(+)-α-Hydroxyphenylacetic acid;(S)-(+)-Hydroxyphenylacetic acid;(S)-2-Hydroxy-2-(phenyl)ethanoic acid;(S)-2-Hydroxy-2-phenylacetic acid;(2S)-2-Hydroxy-2-(phenyl)ethanoic acid;(S)-α-Hydroxyphenylacetic acid;(S)-Amygdalic acid;(2S)-2-Hydroxy-2-phenylacetic acid;14447-36-0
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Solid

(S)-mandelic acid is a (2S)-2-hydroxy monocarboxylic acid and a mandelic acid. It is a conjugate acid of a (S)-mandelate. It is an enantiomer of a (R)-mandelic acid.

(S)-Mandelic acid Basic Attributes

Molecular Weight：

152.14700

Exact Mass：

152.15

EC Number：

241-240-8

UNII：

L0UMW58G3T

HScode：

2918199090

Characteristics

PSA：

57.53000

XLogP3：

0.6

Appearance：

White crystals

Density：

1.321g/cm3

Melting Point：

134 °C

Boiling Point：

321.8ºC at 760mmHg

Flash Point：

162.6ºC

Refractive Index：

153.5 ° (C=1, H2O)

Water Solubility：

H2O: 100 g/L (25 ºC)

Storage Conditions：

Store in a cool, dry place. Do not store in direct sunlight. Store in a tightly closed container.

Vapor Pressure：

0.00012mmHg at 25°C

Dissociation Constants：

3.41 (at 25 °C)

Collision Cross Section：

130.6 Å² [M-H]-

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S37/39

Marks：

Stability/Shelf Life：

Stable, but light sensitive. Combustible. Incompatible with strong bases, strong oxidizing agents, strong reducing agents.

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (30.05%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 185 companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

(S)-Mandelic acid Use and Manufacturing

Uses

Antiseptic (urinary).

Manufacturing Info：

Benzeneacetic acid, .alpha.-hydroxy-, (.alpha.S)-: ACTIVE

Computed Properties

Molecular Weight:152.15
XLogP3:0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:152.047344113
Monoisotopic Mass:152.047344113
Topological Polar Surface Area:57.5
Heavy Atom Count:11
Complexity:138
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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