ChemicalBook--->CAS DataBase List--->585-34-2

585-34-2

585-34-2 Structure

585-34-2 Structure
IdentificationMore
[Name]

3-tert-Butylphenol
[CAS]

585-34-2
[Synonyms]

3-TERT-BUTYLPHENOL
M-T-BUTYLPHENOL
M-TERT-BUTYLPHENOL
PHENOL, 3-(1,1-DIMETHYLETHYL)-
3-(1,1-dimethylethyl)-pheno
3-(1,1-dimethylethyl)-Phenol
3-t-Butylphenol
Phenol, 3-tert-butyl-
3-tert-Butylphenol,99%
Phenol, m-tert-butyl-
3-TERT-BUTYLPHENOL 98+%
3-TERT-BUTYL-PHENYLAMINE
5-tert-Butyl-1-hydroxybenzene
[EINECS(EC#)]

209-553-4
[Molecular Formula]

C10H14O
[MDL Number]

MFCD00002300
[Molecular Weight]

150.22
[MOL File]

585-34-2.mol
Chemical PropertiesBack Directory
[Appearance]

WHITE TO ALMOST WHITE CRYSTALLINE POWDER
[Melting point ]

44-46 °C (lit.)
[Boiling point ]

125-130 °C/20 mmHg (lit.)
[density ]

0.9688 (estimate)
[refractive index ]

1.5108 (estimate)
[Fp ]

228 °F
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[Water Solubility ]

Practically insoluble in water
[form ]

Crystalline Powder
[pka]

10.12(at 25℃)
[color ]

White to almost white
[InChIKey]

CYEKUDPFXBLGHH-UHFFFAOYSA-N
[LogP]

3.300
[CAS DataBase Reference]

585-34-2(CAS DataBase Reference)
[NIST Chemistry Reference]

Phenol, m-tert-butyl-(585-34-2)
[EPA Substance Registry System]

585-34-2(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

C
[Risk Statements ]

R34:Causes burns.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S27:Take off immediately all contaminated clothing .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 2430 8/PG 3
[WGK Germany ]

3
[TSCA ]

Yes
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29071990
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

Anoxomer-->1-BROMO-3-TERT-BUTYLBENZENE-->Methanesulfonic acid, 1,1,1-trifluoro-, 3-(1,1-dimethylethyl)phenyl ester-->Benzonitrile, 4-(1,1-dimethylethyl)-2-ethoxy- (9CI)-->m-tert-butylphenyl methylcarbamate-->[3-(1,1-dimethylethyl)phenoxy]acetic acid-->4-TERT-BUTYL-2-ETHOXY-BENZOIC ACID METHYL ESTER
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-tert-Butylphenol(585-34-2).msds
Hazard InformationBack Directory
[Chemical Properties]

WHITE TO ALMOST WHITE CRYSTALLINE POWDER
[Uses]

3-tert-Butylphenol has been used to study the effect of alkyl group on the phenol ring on the estrogenic potency of alkylphenolic compounds in the yeast screen.
[Definition]

ChEBI: 3-tert-Butylphenol is an alkylbenzene.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 83, p. 2507, 1961 DOI: 10.1021/ja01472a021
[General Description]

3-tert-Butylphenol undergoes stereoselective hydrogenation over charcoal-supported rhodium catalyst in supercritical carbon dioxide solvent.
Spectrum DetailBack Directory
[Spectrum Detail]

3-tert-Butylphenol(585-34-2)MS
3-tert-Butylphenol(585-34-2)1HNMR
3-tert-Butylphenol(585-34-2)13CNMR
3-tert-Butylphenol(585-34-2)IR1
3-tert-Butylphenol(585-34-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-tert-Butylphenol, 99+%(585-34-2)
[Alfa Aesar]

3-tert-Butylphenol, 99%(585-34-2)
[Sigma Aldrich]

585-34-2(sigmaaldrich)
[TCI AMERICA]

3-tert-Butylphenol,>98.0%(GC)(585-34-2)
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