FComEx: Mandelic acid (PC000010)

Record Information

Version

1.0

Creation date

2015-10-09 22:27:17 UTC

Update date

2017-01-19 02:36:09 UTC

FoodComEx ID

PC000010

FoodDB Record

FDB022191

Chemical Information

Name

Mandelic acid

Description

It is an isomer of cresotinic acid (2-hydroxy-3-methylbenzoic acid) and oxymethylbenzoic acid (2-methoxybenzoic acid). Derivatives of mandelic acid are formed as a result of metabolism of adrenaline and noradrenaline by monoamine oxidase and catechol-o-methyl transferase. It is also present in certain skin care products, is an intermediate molecule in the production of other biochemicals, may be used as an analytical reagent and is a precursor in the manufacture of dyes. Mandelic acid is an aromatic alpha hydroxy acid with the molecular formula C8H8O3. It is a white crystalline solid that is soluble in water and most common organic solvents. [HMDB]

CAS Number

90-64-2

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
(RS)-Mandelate	hmdb
(RS)-Mandelic acid	hmdb
(S)-2-Hydroxy-2-phenylacetate	Generator
(S)-2-Hydroxy-2-phenylacetic acid	ChEBI
(S)-a-Hydroxybenzeneacetate	Generator
(S)-a-Hydroxybenzeneacetic acid	Generator
(S)-alpha-Hydroxybenzeneacetate	Generator
(S)-alpha-Hydroxybenzeneacetic acid	ChEBI
(S)-Mandelate	Generator
(S)-Mandelic acid	ChEBI
(S)-Mandelsaeure	ChEBI
(S)-α-hydroxybenzeneacetate	Generator
(S)-α-hydroxybenzeneacetic acid	Generator
2-Hydroxy-2-phenylacetate	hmdb
2-Hydroxy-2-phenylacetic acid	hmdb
2-Hydroxy-2-phenylethanoate	hmdb
2-Hydroxy-2-phenylethanoic acid	hmdb
2-Phenyl-2-hydroxyacetate	hmdb
2-Phenyl-2-hydroxyacetic acid	hmdb
2-Phenylglycolate	hmdb
2-Phenylglycolic acid	hmdb
a-Hydroxy-a-toluate	hmdb
a-Hydroxy-a-toluic acid	hmdb
a-Hydroxybenzeneacetate	hmdb
a-Hydroxybenzeneacetic acid	hmdb
a-Hydroxyphenylacetate	hmdb
a-Hydroxyphenylacetic acid	hmdb
Almond acid	hmdb
alpha-Hydroxy-alpha-toluate	hmdb
alpha-Hydroxy-alpha-toluic acid	hmdb
alpha-Hydroxybenzeneacetate	hmdb
alpha-Hydroxybenzeneacetic acid	hmdb
alpha-Hydroxyphenylacetate	hmdb
alpha-Hydroxyphenylacetic acid	hmdb
Amygdalate	hmdb
Amygdalic acid	hmdb
DL-Amygdalate	hmdb
DL-Amygdalic acid	hmdb
DL-Hydroxy(phenyl)acetate	hmdb
DL-Hydroxy(phenyl)acetic acid	hmdb
DL-Mandelate	hmdb
DL-Mandelic acid	hmdb
L-Mandelate	Generator
L-Mandelic acid	ChEBI
Mandelate	hmdb
Mandelic acid	hmdb
Paramandelate	hmdb
Paramandelic acid	hmdb
Phenylglycolate	hmdb
Phenylglycolic acid	hmdb
Phenylhydroxyacetate	hmdb
Phenylhydroxyacetic acid	hmdb
Uromaline	hmdb

Chemical Formula

C8H8O3

IUPAC name

(2S)-2-hydroxy-2-phenylacetic acid

InChI Identifier

InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m0/s1

InChI Key

IWYDHOAUDWTVEP-ZETCQYMHSA-N

Isomeric SMILES

O[C@H](C(O)=O)C1=CC=CC=C1

Average Molecular Weight

152.1473

Monoisotopic Molecular Weight

152.047344122

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Not Available

Direct Parent

Benzene and substituted derivatives

Alternative Parents