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Mandelic acid

Mandelic acid structure

CAS No:
90-64-2
Formula:
C8H8O3
Chemical Name:
Mandelic acid
Synonyms:
Benzeneacetic acid,α-hydroxy-;Mandelic acid;α-Hydroxybenzeneacetic acid;α-Hydroxyphenylacetic acid;α-Hydroxy-α-toluic acid;Paramandelic acid;Phenylglycolic acid;Phenylhydroxyacetic acid;Uromaline;Almond acid;2-Phenylglycolic acid;2-Hydroxy-2-phenylacetic acid;Amygdalic acid;2-Phenyl-2-hydroxyacetic acid;(±)-Mandelic acid;dl-Mandelic acid;DL-Mandelic acid;(±)-2-Hydroxy-2-phenylethanoic acid;(±)-α-Hydroxybenzeneacetic acid;(RS)-Mandelic acid;DL-Hydroxy(phenyl)acetic acid;(±)-α-Hydroxyphenylacetic acid;DL-Amygdalic acid;NSC 7925;(RS)-2-Hydroxy-2-phenylacetic acid;S 14-75781;611-72-3;15769-78-5;71036-61-8
Categories:
Cosmetic Ingredient > Antimicrobials

Description

White crystalline powder

Mandelic acid is a 2-hydroxy monocarboxylic acid that is acetic acid in which two of the methyl hydrogens are substituted by phenyl and hydroxyl groups. It has a role as an antibacterial agent and a human xenobiotic metabolite. It is a 2-hydroxy monocarboxylic acid and a member of benzenes. It derives from an acetic acid. It is a conjugate acid of a mandelate.|Mandelic acid is an approved aromatic, alpha hydroxy acid. Mandelic acid is used as an ingredient in cosmetics and drug products applied topically.

Mandelic acid Basic Attributes

Molecular Weight：

152.14700

Exact Mass：

152.15

EC Number：

202-007-6

NSC Number：

7925

DSSTox ID：

DTXSID6023234

ATC Code：

B - Blood and blood forming organs|J - Antiinfectives for systemic use

HScode：

2918199090

Characteristics

PSA：

57.53000

XLogP3：

0.6

Appearance：

White crystallized powder

Density：

1.3

Melting Point：

119 °C

Boiling Point：

203 °C @ Press: 15 Torr

Flash Point：

162.6ºC

Refractive Index：

1.591

Water Solubility：

H2O: 150 g/L (20 ºC)

Vapor Pressure：

0.01 Pa (50 °C)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R22; R36/37/38

safety instructions：

S22; S24/25; S37/39; S26

RTECS Number：

OO6300000

Marks：

Xn; Xi

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 (50.93%): 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, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 110 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302 (78.21%): 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 144 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

mandelic acid

Mandelic acid Use and Manufacturing

Uses

Mandelic acid is an aromatic alpha hydroxy acid with the molecular formula C6H5CH(OH)CO2H. It is a white crystalline solid that is soluble in water and polar organic solvents. It is a useful precursor to various drugs. The molecule is chiral. The racemic mixture is known as paramandelic acid.

Manufacturing Info：

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

Use Classification：

Cosmetics -> Antimicrobial

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
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Benzaldehyde

Chlorine dioxide

Acetone

Sodium bisulfite

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