ChemicalBook CAS DataBase List 98-29-3

98-29-3

Name	4-tert-Butylcatechol
CAS	98-29-3
EINECS(EC#)	202-653-9
Molecular Formula	C10H14O2
MDL Number	MFCD00002201
Molecular Weight	166.22
MOL File	98-29-3.mol

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

Chemical Properties

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. less more
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. less more
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)

Safety Data

Symbol(GHS)	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. less more
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 . less more
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 less more
Toxicity	LD50 orally in Rabbit: 815 mg/kg LD50 dermal Rat 1331 mg/kg less more

Raw materials And Preparation Products

Hazard Information

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.

Material Safety Data Sheet(MSDS)

Spectrum Detail

Well-known Reagent Company Product Information

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