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499-76-3

499-76-3 Structure

499-76-3 Structure
IdentificationMore
[Name]

4-HYDROXY-3-METHYLBENZOIC ACID
[CAS]

499-76-3
[Synonyms]

4-HYDROXY-3-METHYLBENZOIC ACID
AKOS BBS-00004298
RARECHEM AL BE 0693
4,3-Cresoticacid
4-Hydroxy-m-toluicacid
4-HYDROXY-3-METHYLBENZOIC ACID hemihydrate
[EINECS(EC#)]

207-890-1
[Molecular Formula]

C8H8O3
[MDL Number]

MFCD00270105
[Molecular Weight]

152.15
[MOL File]

499-76-3.mol
Chemical PropertiesBack Directory
[Melting point ]

173-177 °C
[Boiling point ]

112 °C(Press: 1 Torr)
[density ]

1.304±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

4?+-.0.10(Predicted)
[color ]

Light yellow to Yellow to Orange
[InChI]

1S/C8H8O3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,9H,1H3,(H,10,11)
[InChIKey]

LTFHNKUKQYVHDX-UHFFFAOYSA-N
[SMILES]

Cc1cc(ccc1O)C(O)=O
[CAS DataBase Reference]

499-76-3(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R22:Harmful if swallowed.
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/39:Wear suitable protective clothing and eye/face protection .
[WGK Germany ]

2
[HazardClass ]

IRRITANT
[HS Code ]

29182900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Dam. 1
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium formate-->o-Cresol-->p-Toluic acid
[Preparation Products]

3-methyl-4-(propan-2-yloxy)aniline
Hazard InformationBack Directory
[Chemical Properties]

Orange-red powder or solid
[Uses]

4-Hydroxy-3-methylbenzoic acid is a normal organic acid identified in urine specimens from a healthy population.
[Definition]

ChEBI: A monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted by a methyl group at position 3.
[IC 50]

Human Endogenous Metabolite
[storage]

Store at -20°C
[References]

[1] Chapman PJ, et al. The bacterial metabolism of 2,4-xylenol. Biochem J. 1968 Dec;110(3):491-8. DOI:10.1042/bj1100491
Spectrum DetailBack Directory
[Spectrum Detail]

4-HYDROXY-3-METHYLBENZOIC ACID(499-76-3)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4-Hydroxy-3-methylbenzoic acid hydrate, 97%(499-76-3)
[Sigma Aldrich]

499-76-3(sigmaaldrich)
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