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612-20-4

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612-20-4 Structure

612-20-4 Structure
IdentificationBack Directory
[Name]

2-(hydroxymethyl)benzoic acid
[CAS]

612-20-4
[Synonyms]

2-methylolbenzoic acid
Olopatadine Impurity 2
Butylphthalide Impurity 5
o-(Hydroxymethyl)benzoic acid
Benzoic acid, 2-(hydroxyMethyl)-
[EINECS(EC#)]

210-298-6
[Molecular Formula]

C8H8O3
[MDL Number]

MFCD02151998
[MOL File]

612-20-4.mol
[Molecular Weight]

152.15
Chemical PropertiesBack Directory
[Melting point ]

139.5-140.5 °C
[Boiling point ]

333.9±17.0 °C(Predicted)
[density ]

1.314±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Solid
[pka]

3.84±0.10(Predicted)
[color ]

White to off-white
[InChI]

InChI=1S/C8H8O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,9H,5H2,(H,10,11)
[InChIKey]

MGMNPSAERQZUIM-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC=CC=C1CO
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HS Code ]

2918199890
Hazard InformationBack Directory
[Uses]

2-Hydroxymethyl benzoic acid is an endogenous metabolite.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 53, p. 5147, 1988 DOI: 10.1021/jo00256a045
[IC 50]

Human Endogenous Metabolite
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

2-(hydroxymethyl)benzoic acid(612-20-4)1HNMR
2-(hydroxymethyl)benzoic acid(612-20-4)1HNMR
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