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.)
[bulk density]

650-700kg/m3
[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)
[InChI]

1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3
[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
[SMILES]

CC(C)(C)c1ccc(O)c(O)c1
[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
[Toxics Screening Level]

The ITSL for t-butylcatechol has been set at 9 μg/m3 based on annual average time.
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)Environment (GHS09)
GHS05,GHS07,GHS09
[Signal word ]

Danger
[Hazard statements ]

H302+H312-H314-H317-H410
[Precautionary statements ]

P260-P273-P280-P301+P312-P303+P361+P353-P305+P351+P338
[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
[REACH Registrations]

Active
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29072900
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1
Eye Dam. 1
Skin Corr. 1B
Skin Sens. 1
[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)
98-29-3 suppliers list
Company Name: JIANGSU B-WIN CHEMICAL INDUSTRY CO.,LTD.  Gold
Telephone: 0510-85840252 400-005-1800
Website: http://www.jsbschem.com
Company Name: Nanjing Lanbai Chemical Co., Ltd.  Gold
Telephone: 025-85499326 15366059326;13813836665
Website: http://www.lanbaichem.com
Company Name: Baoding Bink New Materials Co., Ltd.  Gold
Telephone: 17531153977
Website: www.chemicalbook.com/showsupplierproductslist238156/0_en.htm
Company Name: Powerful Chemical (Shanghai) Co., Ltd.  Gold
Telephone: 021-62211590 18917958225;
Website: https://www.chemicalbook.com/ShowSupplierProductsList30603/0_EN.htm
Company Name: Ningbo chemical raw materials co., ltd.  Gold
Telephone: 13306607903;13306607903
Website: www.chemicalbook.com/ShowSupplierProductsList1181174/0_EN.htm
Company Name: ZIBO LISHUO CHEMICAL  Gold
Telephone: 13853320569
Website: https://www.chemicalbook.com/supplier/25771343/
Company Name: Shandong Xuchen Chemical Technology  Gold
Telephone: 15698059122 15698059122
Website: www.chemicalbook.com/supplier/138907341/
Company Name: J & K SCIENTIFIC LTD.  
Telephone: 18210857532 18210857532
Website: https://www.jkchemical.com
Company Name: Meryer (Shanghai) Chemical Technology Co., Ltd.  
Telephone: 4006356688 18621169109
Website: www.x-labseek.com/
Company Name: 3B Pharmachem (Wuhan) International Co.,Ltd.  
Telephone: 18930552037
Website: www.chemicalbook.com/showsupplierproductslist13285/0_en.htm
Company Name: Alfa Aesar  
Telephone: 400-6106006
Website: http://chemicals.thermofisher.cn
Company Name: TCI (Shanghai) Development Co., Ltd.  
Telephone: 021-67121386
Website: https://www.tcichemicals.com/CN/zh/
Company Name: Energy Chemical  
Telephone: 400-0056266
Website: www.energy-chemical.com
Company Name: Capot Chemical Co., Ltd  
Telephone: +86 (0) 571 85 58 67 18
Website: www.capotchem.com
Company Name: Beijing Ouhe Technology Co., Ltd  
Telephone: 13552068683 13522913783
Website: www.ouhetech.cn/
Company Name: JinYan Chemicals(ShangHai) Co.,Ltd.  
Telephone: 13817811078
Website: www.jingyan-chemical.com
Company Name: Shanghai Hanhong Scientific Co.,Ltd.  
Telephone: 021-54306202 13764082696
Website: https://www.hanhongsci.com
Company Name: XiaoGan ShenYuan ChemPharm co,ltd  
Telephone: 15527621225; 15527621225
Website: http://www.farchem.com/
Tags:98-29-3 Related Product Information
98-54-4 26537-19-9 1948-33-0 120-80-9 100-42-5 1344-28-1 586-39-0 350-51-6 2039-88-5 637-69-4 78-79-5 77-73-6 2234-20-0 2039-89-6 28469-92-3 98-83-9 2039-85-2 2039-87-4