ChemicalBook--->CAS DataBase List--->496-78-6

496-78-6

496-78-6 Structure

496-78-6 Structure
IdentificationBack Directory
[Name]

2,4,5-TRIMETHYLPHENOL
[CAS]

496-78-6
[Synonyms]

PSEUDOCUMENOL
2,4,5-TRIMETHYLPHENOL
2,4,5-trimethyl-pheno
5-hydroxypseudocumene
Phenol, 2,4,5-trimethyl-
1-Hydroxy-2,4,5-trimethylbenzene
[EINECS(EC#)]

207-832-5
[Molecular Formula]

C9H12O
[MDL Number]

MFCD00020050
[MOL File]

496-78-6.mol
[Molecular Weight]

136.19
Chemical PropertiesBack Directory
[Melting point ]

°C
[Boiling point ]

232°C
[density ]

0.9809 (estimate)
[refractive index ]

1.5118 (estimate)
[Fp ]

232°C
[form ]

solid
[pka]

pK1:10.57 (25°C)
[Odor]

at 10.00 % in dipropylene glycol. phenolic chemical
[Odor Type]

phenolic
[InChI]

1S/C9H12O/c1-6-4-8(3)9(10)5-7(6)2/h4-5,10H,1-3H3
[InChIKey]

VXSCPERJHPWROZ-UHFFFAOYSA-N
[SMILES]

OC1=CC(C)=C(C)C=C1C
[LogP]

2.899 (est)
[EPA Substance Registry System]

2,4,5-Trimethylphenol (496-78-6)
Safety DataBack Directory
[Risk Statements ]

37/38-41
[Safety Statements ]

26-39
[RIDADR ]

UN2430
[WGK Germany ]

WGK 3
[RTECS ]

SN2815000
[TSCA ]

Yes
[HazardClass ]

8
[PackingGroup ]

III
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
Skin Sens. 1
Spectrum DetailBack Directory
[Spectrum Detail]

2,4,5-TRIMETHYLPHENOL(496-78-6)IR1
2,4,5-TRIMETHYLPHENOL(496-78-6)IR2
Hazard InformationBack Directory
[Purification Methods]

Crystallise the phenol from water. [Beilstein 6 H 509, 6 I 255, 6 II 482, 6 III 1831, 6 IV 3247.]
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