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(-)-Mandelic acid

(-)-Mandelic acid structure

CAS No:
611-71-2
Formula:
C8H8O3
Chemical Name:
(-)-Mandelic acid
Synonyms:
Benzeneacetic acid,α-hydroxy-,(αR)-;Mandelic acid,D-;Benzeneacetic acid,α-hydroxy-,(R)-;(αR)-α-Hydroxybenzeneacetic acid;D-Mandelic acid;D(-)-Mandelic acid;(-)-Mandelic acid;(-)-(R)-Mandelic acid;D-2-Phenylglycolic acid;(R)-α-Hydroxyphenylacetic acid;(R)-(-)-Mandelic acid;(R)-α-Hydroxybenzeneacetic acid;(-)-α-Hydroxyphenylacetic acid;(R)-Mandelic acid;(R)-Hydroxy(phenyl)acetic acid;(R)-Mandelic acid;(R)-(-)-Hydroxyphenylacetic acid;(R)-2-Hydroxy-2-phenylacetic acid;(-)-D-Mandelic acid;(R)-Amygdalic acid;(2R)-2-Hydroxy-2-phenylacetic acid;14447-35-9
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

D-(-)-Mandelic acid is a natural compound isolated from bitter almonds.

(R)-mandelic acid is the (R)-enantiomer of mandelic acid. It has a role as a human xenobiotic metabolite. It is a conjugate acid of a (R)-mandelate. It is an enantiomer of a (S)-mandelic acid.

(-)-Mandelic acid Basic Attributes

Molecular Weight：

152.14700

Exact Mass：

152.15

EC Number：

210-276-6

UNII：

PPL7YW1M9W

DSSTox ID：

DTXSID4046523

HScode：

2918199090

Characteristics

PSA：

57.53000

XLogP3：

0.6

Appearance：

White crystals

Density：

1.321 g/cm3

Melting Point：

119 °C

Boiling Point：

321.8ºC at 760 mmHg

Flash Point：

162.6ºC

Refractive Index：

1.591

Water Solubility：

It is partly soluble in water, freely soluble in isopropyl and ethyl alcohol.

Storage Conditions：

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

Toxicity：

LD50 orally in Rabbit: 5000 mg/kg

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R41

safety instructions：

S24/25

Marks：

Stability/Shelf Life：

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

Precautionary statement(s)：

P280-P305 + P351 + P338

Hazard Statements：

H318

GHS Classification：

|Danger|H318 (92.59%): Causes serious eye damage [Danger Serious eye damage/eye irritation]|P280, P305+P351+P338, and P310|Aggregated GHS information provided by 173 companies from 10 notifications to the ECHA C&L Inventory.

(-)-Mandelic acid Use and Manufacturing

Uses

Antiseptic (urinary).

Manufacturing Info：

Benzeneacetic acid, .alpha.-hydroxy-, (.alpha.R)-: 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

Material

Ethanol

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