ChemicalBook--->CAS DataBase List--->28286-79-5

28286-79-5

28286-79-5 Structure

28286-79-5 Structure
IdentificationBack Directory
[Name]

3-(HYDROXYMETHYL)-BENZOIC ACID
[CAS]

28286-79-5
[Synonyms]

28286-79-5
CHEMPACIFIC 41256
RARECHEM AL BO 0962
3-methylolbenzoic acid
3-CARBOXYBENZYL ALCOHOL
3-(HYDROXYMETHYL)-BENZOIC ACID
Benzoic acid, 3-(hydroxymethyl)-
3-(Hydroxymethyl)benzoic acid 98%
[EINECS(EC#)]

200-258-5
[Molecular Formula]

C8H8O3
[MDL Number]

MFCD06208242
[MOL File]

28286-79-5.mol
[Molecular Weight]

152.15
Chemical PropertiesBack Directory
[Melting point ]

114.5-115 °C
[Boiling point ]

358.1±25.0 °C(Predicted)
[density ]

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

Sealed in dry,Room Temperature
[form ]

powder
[pka]

4.20±0.10(Predicted)
[color ]

Off-white
[InChI]

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

UOKBFIOAEPCADP-UHFFFAOYSA-N
[SMILES]

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

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HS Code ]

2916399090
Hazard InformationBack Directory
[Uses]

3-(hydroxymethyl)benzoic acid is an intermediate for the synthesis of pesticides and flavors, and a good highlighter for color films.
[Synthesis]

3-(hydroxymethyl)benzoic acid can be prepared by  acetic acid, catalys and initiator stirred with xylene and hydrogen peroxide at 115℃ for 1-5h.
[References]

[1] Patent: WO2004/113281, 2004, A1. Location in patent: Page 49-50
Spectrum DetailBack Directory
[Spectrum Detail]

3-(HYDROXYMETHYL)-BENZOIC ACID(28286-79-5)1HNMR
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