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Home > Encyclopedia > 3-Methyl-6-tert-butylphenol

3-Methyl-6-tert-butylphenol

3-Methyl-6-tert-butylphenol structure

3-Methyl-6-tert-butylphenol 

structure
  • CAS No:

    88-60-8

  • Formula:

    C11H16O

  • Chemical Name:

    3-Methyl-6-tert-butylphenol

  • Synonyms:

    Phenol,2-(1,1-dimethylethyl)-5-methyl-;m-Cresol,6-tert-butyl-;2-(1,1-Dimethylethyl)-5-methylphenol;2-tert-Butyl-5-methylphenol;6-tert-Butyl-m-cresol;3-Methyl-6-tert-butylphenol;6-tert-Butyl-3-methylphenol;5-Methyl-2-tert-butylphenol;NSC 48467;6-tert-Butyl-3-cresol

  • Categories:

    Catalyst and Auxiliary  >  Antioxidants

Description

clear colorless viscous liquid


Liquid

3-Methyl-6-tert-butylphenol Basic Attributes

164.248

164.24

201-842-3

UXV32MJ2CA

48467

DTXSID2026529

2907199090

Characteristics

20.2

3.6

Liquid

0.922 g/cm3 @ Temp: 80 °C

46 °C

224 °C @ Press: 760 Torr

105.6±0.0 °C

1.513

INSOL IN WATER; SOL IN ALCOHOL, ETHER, ACETONE, ORGANIC SOLVENTS

Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Safety Information

III

8

UN 3145 8/PG 3

2

R22;R34;R36/37/38

S26-S36/37/39-S45

SK1578180

C:Corrosive;Xn:Harmful;

Stable at room temperature in closed containers under normal storage and handling conditions.

P261-P305 + P351 + P338

H302-H315-H319-H335

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P273, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 160 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P260, P264, P270, P280, P281, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P308+P313, P309+P311, P310, P312, P314, P321, P322, P330, P363, P405, and P501

Drug Information

WHEN 6-TERT-BUTYL-M-CRESOL WAS ALLOWED TO INTERACT WITH BOVINE SERUM ALBUMIN, THE NUMBERS OF SITES OCCUPIED/MOLECULE OF PROTEIN WAS 17. THE NUMBER OF SITES OCCUPIED WAS A LINEAR FUNCTION OF THE DISTRIBUTION COEFFICIENT FOR PARTITION BETWEEN HYDRATED SILICA & THE ORGANIC MOBILE PHASE IN THIN-LAYER CHROMATOGRAPHY & A LINEAR FUNCTION OF THE DIFFERENCES BETWEEN THE O-H STRETCHING FREQUENCIES INFRARED SPECTRA OF THE M-CRESOLS IN CARBON TETRACHLORIDE SOLN & IN THE PURE LIQ STATE. THE BINDING OF M-CRESOLS APPARENTLY INCR WITH THEIR STERIC HINDRANCE, & THE BINDING DEPENDS ON THE PARTITION BETWEEN AN AQ PHASE & ORG PHASE.

3-Methyl-6-tert-butylphenol Use and Manufacturing

Methods of Manufacturing

ACID-CATALYZED REMOVAL OF ONE TERTIARY BUTYL GROUP FROM 5-METHYL-2,4-DI-TERT-BUTYLPHENOL

Uses

Intermediates

Production

(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS|(1981) PROBABLY GREATER THAN 2.27X10+6 GRAMS

All other basic organic chemical manufacturing|Phenol, 2-(1,1-dimethylethyl)-5-methyl-: ACTIVE

Food additives -> Flavoring Agents

Flavoring Agents

Computed Properties

Molecular Weight:164.24
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:164.120115130
Monoisotopic Mass:164.120115130
Topological Polar Surface Area:20.2
Heavy Atom Count:12
Complexity:146
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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