CAS No.1879-09-0,2-(tert-Butyl)-4,6-dimethylphenol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1879-09-0
Name:	2-(tert-Butyl)-4,6-dimethylphenol
Article Data:	43

Formula:	C₁₂H₁₈O
Molecular Weight:	178.274
Synonyms:	6-tert-Butyl-2,4-xylenol;Phenol,2-(1,1-dimethylethyl)-4,6-dimethyl-;2,4-Xylenol,6-tert-butyl- (6CI,7CI,8CI);2,4-Dimethyl-6-tert-butylphenol;2-(1,1-Dimethylethyl)-4,6-dimethylphenol;2-Methyl-6-tert-butyl-p-cresol;6-(1,1-Dimethylethyl)-2,4-dimethylphenol;6-tert-Butyl-2,4-dimethylphenol;
EINECS:	217-533-1
Density:	0.952 g/cm³
Melting Point:	22 ºC
Boiling Point:	249 ºC at 760 mmHg
Flash Point:	111.7 ºC
Solubility:	Insoluble in water
Appearance:	yellow liquid
Hazard Symbols:	Xi
Risk Codes:	20/21/22-36/37/38
Safety:	26-36/37/39
PSA:	20.23000
LogP:	3.30650

Synthetic route

: 105-67-9
2,4-Xylenol

: 115-11-7
isobutene

: 1879-09-0
2,4-dimethyl-6-tert-butylphenol

Conditions

Conditions	Yield
Stage #1: 2,4-Xylenol With zinc Heating; Large scale; Stage #2: isobutene at 70℃; Large scale;	96.1%
With acidic ion exchanger
With sulfuric acid at 70℃;
With toluene-4-sulfonic acid In toluene	253 g (86.6%)

: 67-56-1
methanol

: 119-47-1
2,2'-dihydroxy-5,5'-dimethyl-3,3'-di-tert-burtyl-1,1'-diphenylmethane

: 1879-09-0
2,4-dimethyl-6-tert-butylphenol

Conditions

Conditions	Yield
With zinc(II) oxide; sodium hydroxide at 250℃; for 8h;	94%

: 67-56-1
methanol

: 2219-82-1
2-tert-Butyl-6-methylphenol

: 1879-09-0
2,4-dimethyl-6-tert-butylphenol

Conditions

Conditions	Yield
With zinc(II) oxide; sodium hydroxide at 210 - 220℃; for 8h;	84%

: 2-(allyloxy)-1-(tert-butyl)-3,5-dimethylbenzene

A: 1879-09-0
2,4-dimethyl-6-tert-butylphenol

B: 19182-94-6
2-allyl-4,6-dimethylphenol

Conditions

Conditions	Yield
In 1-methyl-pyrrolidin-2-one at 220℃; for 0.333333h; Claisen Rearrangement; Microwave irradiation; Inert atmosphere;	A 23% B 42%

: 105-67-9
2,4-Xylenol

: 75-65-0
tert-butyl alcohol

A: 2409-55-4
2-tert-Butyl-4-methylphenol

B: 1879-09-0
2,4-dimethyl-6-tert-butylphenol

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In benzene for 3h; Heating;	A 83 g B 25.8%
With toluene-4-sulfonic acid In benzene for 3h; Heating;	A 83 mg B 25.8%

...Expand

: 17696-37-6
2,5-dimethyl-4-(1,1-dimethylethyl)-phenol

: 1879-09-0
2,4-dimethyl-6-tert-butylphenol

Conditions

Conditions	Yield
With sodium hydroxide

: 105-67-9
2,4-Xylenol

: 75-65-0
tert-butyl alcohol

: 1879-09-0
2,4-dimethyl-6-tert-butylphenol

Conditions

Conditions	Yield
With phosphoric acid at 70 - 105℃;
With phosphoric acid; phosphorus pentoxide

: 86119-84-8, 7664-38-2
phosphoric acid

: 105-67-9
2,4-Xylenol

: 75-65-0
tert-butyl alcohol

: 1879-09-0
2,4-dimethyl-6-tert-butylphenol

Conditions

Conditions	Yield
at 70 - 105℃;

...Expand

: 128-37-0
2,6-di-tert-butyl-4-methyl-phenol

: 118-82-1
4,4'-Methylenebis(2,6-di-tert-butylphenol)

: 955-01-1
3,5-di-tert-butyl-4-hydroxy benzyl chloride

: 1879-09-0
2,4-dimethyl-6-tert-butylphenol

Conditions

Conditions	Yield
palladium on activated charcoal In toluene

...Expand

: 5,11,17,23-tetratert-butyl-4,12,16,24-tetrahydroxycalix[4]arene ethanol complex

: 1879-09-0
2,4-dimethyl-6-tert-butylphenol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 100 °C 2: zinc(II) oxide; sodium hydroxide / 8 h / 250 °C View Scheme

Raw Materials

128-37-0

64325-12-8

67-56-1

17696-37-6

119-47-1

105-67-9

118-82-1

115-11-7

Downstream Products

762-84-5

1707-75-1

139656-52-3

105-67-9

23500-79-0

115-11-7

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Chemistry

IUPAC Name: 2-tert-Butyl-4,6-dimethylphenol
Molecular Formula: C₁₂H₁₈O
Molecular Weight: 178.27 g/mol
Canonical SMILES: c1(c(c(cc(c1)C)C)O)C(C)(C)C
InChI: InChI=1/C12H18O/c1-8-6-9(2)11(13)10(7-8)12(3,4)5/h6-7,13H,1-5H3
EINECS: 217-533-1
Product Categories: Industrial / Fine Chemicals
Index of Refraction: 1.512
Molar Refractivity: 56.17 cm³
Molar Volume: 187.1 cm³
Polarizability: 22.26×10^-24cm³
Surface Tension: 32.1 dyne/cm
Density: 0.952 g/cm³
Flash Point: 111.7 °C
Enthalpy of Vaporization: 50.59 kJ/mol
Boiling Point: 249 °C at 760 mmHg
Melting Point: 22 °C
Solubility: Insoluble in water.
Vapour Pressure of Topanol A (CAS NO.1879-09-0): 0.0149 mmHg at 25 °C

Uses

Topanol A (CAS NO.1879-09-0) is an alkylated phenol used industrially as an antioxidant, eg. to prevent gumming in fuels, and as an ultraviolet stabilizer. It is used in jet fuels, gasolines, and avgas. It is also used in printing industry.

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LDLo	oral	420mg/kg (420mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 38, Pg. 366, 1949.
guinea pig	LDLo	skin	7100mg/kg (7100mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA	Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 38, Pg. 366, 1949.
mouse	LD50	oral	530mg/kg (530mg/kg)	LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE	Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 38, Pg. 366, 1949.
rabbit	LDLo	oral	55mg/kg (55mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA	Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 38, Pg. 366, 1949.
rabbit	LDLo	skin	17mg/kg (17mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: DYSPNEA	National Technical Information Service. Vol. OTS0555501,
rat	LDLo	oral	1400mg/kg (1400mg/kg)		Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 38, Pg. 366, 1949.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by skin contact. Moderately toxic by ingestion. When heated to decomposition it emits smoke and acrid, irritating fumes.
Hazard Codes: Harmful Xn
Risk Statements: 20/21/22-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: 2927
RTECS: ZE6825000
Hazard Note: Harmful
HazardClass: 6.1(a)
PackingGroup of Topanol A (CAS NO.1879-09-0): I

Specification

Topanol A (CAS NO.1879-09-0), its Synonyms are 2,4-Dimethyl-6-tert-butylphenol ; 2-tert-Butyl-4,6-dimethylphenol ; 6-t-Butyl-2,4-dimethylphenol ; 6-t-Butyl-2,4-xylenol ; 6-tert-Butyl-2,4-dimethylphenol ; 6-tert-Butyl-2,4-xylenol ; Phenol, 2-(1,1-dimethylethyl)-4,6-dimethyl- ; 2,4-Xylenol, 6-tert-butyl- . It is a yellow liquid with a phenolic odor.