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ChemicalBook--->CAS DataBase List--->98-29-3

98-29-3

98-29-3 Structure

98-29-3 Structure
IdentificationMore
[Name]

4-tert-Butylcatechol
[CAS]

98-29-3
[Synonyms]

4-(1,1-DIMETHYLETHYL)-1,2-BENZENEDIOL
4-T-BUTYLPYROCATECHOL
4-TERT-BUTYL-1,2-BENZENEDIOL
4-TERT-BUTYL-1,2-DIHYDROXYBENZENE
4-TERT-BUTYLCATECHOL
4-TERT-BUTYLPYROCATECHOL
PTBC
P-T-BUTYLCATECHOL
P-TERT-BUTYL CATECHOL
TBC
T-BUTYL CATECHOL
TERT-BUTYL CATECHOL
1,2-Benzenediol, 4-(1,1-dimethylethyl-) 1,2-benzenediol
1,2-Benzenediol,4-(1,1-dimethylethyl)-
1,2-Dihydroxy-4-tert-butylbenzene
2-Benzenediol,4-(1,1-dimethylethyl)-1
2-dihydroxybenene
4-(1,1-dimethylethyl)-2-benzenediol
4-tbc
4-t-Butyl-1,2-benzenediol
[EINECS(EC#)]

202-653-9
[Molecular Formula]

C10H14O2
[MDL Number]

MFCD00002201
[Molecular Weight]

166.22
[MOL File]

98-29-3.mol
Chemical PropertiesBack Directory
[Appearance]

white to cream flakes
[Melting point ]

52-55 °C(lit.)
[Boiling point ]

285 °C(lit.)
[density ]

1.049
[vapor pressure ]

<1 hPa (25 °C)
[refractive index ]

n20/D 1.508
[Fp ]

>230 °F
[storage temp. ]

Store below +30°C.
[solubility ]

methanol: soluble1g/10 mL, clear, colorless to slightly yellow
[form ]

powder to lump
[pka]

9.92±0.10(Predicted)
[color ]

White to Light yellow to Light red
[Odor]

at 10.00?%?in?dipropylene glycol. phenolic
[Water Solubility ]

0.2 g/100 mL (25 ºC)
[Sensitive ]

Hygroscopic
[BRN ]

2043335
[Exposure limits]

ACGIH: TWA 5 ppm (Skin)
NIOSH: TWA 5 ppm(20 mg/m3)
[Contact allergens]

p-tert-Butyl catechol is specially prepared by reacting the impure catechol fraction with tertiary butyl alcohol. It is used for its various properties (inhibitor of polymerization and antioxidizing agent) in the manufacture of rubber, plastics, and paints, in the preparation of petrolatum products, and as an antioxidant in oils. It may induce vitiligo.
[InChIKey]

XESZUVZBAMCAEJ-UHFFFAOYSA-N
[LogP]

1.98 at 25℃
[Uses]

Polymerization inhibitor for styrene-butadiene and other olefins.
[CAS DataBase Reference]

98-29-3(CAS DataBase Reference)
[NIST Chemistry Reference]

1,2-Benzenediol, 4-(1,1-dimethylethyl)-(98-29-3)
[EPA Substance Registry System]

98-29-3(EPA Substance)
Hazard InformationBack Directory
[Chemical Properties]

white to cream flakes
[Hazard]

Toxic by ingestion and skin absorption.
[Description]

Para-tertiary butyl catechol is specially prepared by reacting the impure catechol fraction with tertiary butyl alcohol. Used for its various properties (inhibition of polymerization and as an antioxidizing agent) in the manufacture of rubber, plastics and paints, in the preparation of petrolatum products, and as an antioxidant in oils, it may induce vitiligo.
[Application]

Polymerization inhibitor for styrene-butadiene and other olefins.
Inhibitor-remover packings and ready-to-use, disposable prepacked columns offer a quick and convenient means of removing small amounts of inhibitors which are added to reagents or solvents that would otherwise be unstable (e.g., they may polymerize, oxidize or darken) on storage.
The inhibitor removers are useful in applications which require that the stabilizer or inhibitor [i.e., hydroquinone (HQ), hydroquinone monomethyl ether (MEHQ, 4-methoxyphenol) or 4-tert-butylcatechol (TBC)] be removed prior to use.
[General Description]

4-tert-Butylcatechol,in the presence of O2 catalyzed by tyrosinase, yields 4-tert-butyl-o-benzoquinone. Electrochemical oxidation of 4-tert-Butylcatechol in the presence of 4-hydroxycoumarin as nucleophile has been studied using cyclic voltammetry and controlled-potential coulometry. It undergoes electrochemical trimerization via anodic oxidation and mechanism of trimerization has been studied using cyclic voltammetry and controlled-potential coulometry.
[Flammability and Explosibility]

Notclassified
[Purification Methods]

Distil it in a vacuum, then recrystallise it from pentane or pet ether (or *C6H6). [Beilstein
Safety DataBack Directory
[Hazard Codes ]

C,N,T
[Risk Statements ]

R22:Harmful if swallowed.
R34:Causes burns.
R43:May cause sensitization by skin contact.
R21:Harmful in contact with skin.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R21/22:Harmful in contact with skin and if swallowed .
R39/23/24/25:Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R10:Flammable.
[Safety Statements ]

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 .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S24:Avoid contact with skin .
[RIDADR ]

UN 2923 8/PG 3
[WGK Germany ]

2
[RTECS ]

UX1400000
[Autoignition Temperature]

160 °C
[TSCA ]

Yes
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29072900
[Safety Profile]

A poison by intravenous route. Moderately toxic by ingestion and skin absorption. A severe skin and eye irritant. Mutation data reported. Combustible when exposed to heat or flame. To fight fire, use Con, dry chemical, fog, mist. When heated to decomposition it emits acrid and irritating fumes
[Toxicity]

LD50 orally in Rabbit: 815 mg/kg LD50 dermal Rat 1331 mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

tert-Butanol-->Isobutylene-->Catechol
[Preparation Products]

N-Isopropylacrylamide-->4-Vinylpyridine-->4-Vinylphenol-->4-CYANOSTYRENE-->5-Ethyl-2-pyridineethanol-->3-Chlorostyrene-->5-(tert-butyl)-3-(morpholinomethyl)benzene-1,2-diol-->Sodium allylsulfonate-->2,5-Bis(5-tert-butyl-2-benzoxazolyl)thiophene
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-(1,1-Dimethylethyl)-1,2-benzenediol(98-29-3).msds
Spectrum DetailBack Directory
[Spectrum Detail]

4-tert-Butylcatechol(98-29-3)MS
4-tert-Butylcatechol(98-29-3)1HNMR
4-tert-Butylcatechol(98-29-3)13CNMR
4-tert-Butylcatechol(98-29-3)IR1
4-tert-Butylcatechol(98-29-3)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-tert-Butylcatechol, 99%(98-29-3)
[Alfa Aesar]

4-tert-Butylcatechol, 98%(98-29-3)
[TCI AMERICA]

4-tert-Butylpyrocatechol,>98.0%(GC)(98-29-3)
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