3-Methyl-6-tert-butylphenol
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3-Methyl-6-tert-butylphenol
structure -
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CAS No:
88-60-8
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Formula:
C11H16O
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Chemical Name:
3-Methyl-6-tert-butylphenol
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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:
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CAS No:
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
ACID-CATALYZED REMOVAL OF ONE TERTIARY BUTYL GROUP FROM 5-METHYL-2,4-DI-TERT-BUTYLPHENOL
Intermediates
(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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