2,4,5-TRIMETHYLPHENOL

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Names

[ CAS No. ]:
496-78-6

[ Name ]:
2,4,5-TRIMETHYLPHENOL

[Synonym ]:
UNII-3PCA9E425C
1-Hydroxy-2,4,5-trimethylbenzene
Phenol, 2,4,5-trimethyl-
MFCD00020050
EINECS 207-832-5
2,4,5-trimethylphenol
5-Hydroxypseudocumene

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
232.0±0.0 °C at 760 mmHg

[ Melting Point ]:
ºC

[ Molecular Formula ]:
C₉H₁₂O

[ Molecular Weight ]:
136.191

[ Flash Point ]:
102.3±8.4 °C

[ Exact Mass ]:
136.088821

[ PSA ]:
20.23000

[ LogP ]:
2.86

[ Vapour Pressure ]:
0.0±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.536

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SN2815000

CHEMICAL NAME :: Phenol, 2,4,5-trimethyl-

CAS REGISTRY NUMBER :: 496-78-6

BEILSTEIN REFERENCE NO. :: 2040904

LAST UPDATED :: 199701

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C9-H12-O

MOLECULAR WEIGHT :: 136.21

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 6,225,1954

Safety Information

[ Hazard Codes ]:
C

[ Risk Phrases ]:
37/38-41

[ Safety Phrases ]:
S26-S39

[ RIDADR ]:
UN2430

[ Packaging Group ]:
III

[ HS Code ]:
2907199090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

6-(N-piperidinylmethyl)-2,5-dimethylphenol
2,4,5-trimethyl-3-methylsulfanylphenol
1-methoxy-2,4,5-trimethylbenzene
Benzenemethanol,2-hydroxy-4,5-dimethyl-
2,4,4-Trimethyl-2,5-cyclohexadien-1-on
Trimethyl(methylsulfanyl)silane
Phenylthiotrimethylsilane
2,5-Dimethylphenol
5-methyl-2-(piperidin-1-ylmethyl)phenol
m-Cresol

DownStream

2-Hydroxy-4,5-dimethylacetophenone
3-chloro-2,5,6-trimethylbenzoic acid
2-(2,4,5-trimethylphenoxy)acetic acid
1,2,4-TRIMETHYLCYCLOHEXANE
2,4,5-Trimethyl-cyclohexanol
3,4,6-trimethylcyclohexa-3,5-diene-1,2-dione
1-acetoxy-2,4,5-trimethylbenzene
1-methoxy-2,4,5-trimethylbenzene
4-HYDROXY-2,3,6-TRIMETHYLPHENYL ACETATE
3-acetoxy-2,5-dihydroxy-5-carboxy-2,3,5-trimethylpentan-4-olide

Customs

[ HS Code ]: 2907199090

[ Summary ]:
2907199090 other monophenols VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%