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98-29-3

Basic Information
CAS No.: 98-29-3
Name: 4-tert-Butylcatechol
Molecular Structure:
Molecular Structure of 98-29-3 (4-tert-Butylcatechol)
Formula: C10H14O2
Molecular Weight: 166.22
Synonyms: p-t-Butylpyrocatechol;4-tert-Butyl-1,2-dihydroxybenzene;4-06-00-06014 (Beilstein Handbook Reference);4-tert-Butylpyrokatechin [Czech];p-tert-Butyl catechol;Synox TBC;Pyrocatechol, 4-tert-butyl-;4-tert-Butyl-1,2-benzenediol;p-tert-Butylcatechol;t-Butyl catechol;1,2-Benzenediol, 4-(1,1-dimethylethyl)-;4-t-Butylpyrocatechol;p-tert-Butylpyrocatechol;4-tert-Butyl-pyrocatechol;1,2-Dihydroxy-4-tert-butylbenzene;4-tert-butylbenzene-1,2-diol;4-TBC;P-tert butyl catechol;4-tert-Butylcatechol (4-TBC) (TBC);p-tert-Butyl catechol, TBC;
EINECS: 202-653-9
Density: 1.086 g/cm3
Melting Point: 52-55 °C(lit.)
Boiling Point: 286.3 °C at 760 mmHg
Flash Point: 135.5 °C
Solubility: water: 0.2 g/100 mL (25 °C)
Appearance: white to cream flakes
Hazard Symbols: CorrosiveC,DangerousN,ToxicT
Risk Codes: 34-43-51/53-21/22-39/23/24/25-20/21/22-10
Safety: 26-36/37/39-45-61-24
Transport Information: UN 2923 8/PG 3
PSA: 40.46000
LogP: 2.39530
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Chemistry

Molecular Structure:

Molecular Formula: C10H14O2
Molecular Weight: 166.217
IUPAC Name: 4-Tert-butylbenzene-1,2-diol
Synonyms of 4-tert-Butylcatechol (CAS NO.98-29-3): 1,2-Dihydroxy-4-tert-butylbenzene ; 4-06-00-06014 (Beilstein Handbook Reference) ; 4-TBC ; 4-t-Butylcatechol ; 4-t-Butylpyrocatechol ; 4-tert-Butyl-1,2-benzenediol ; 4-tert-Butyl-1,2-dihydroxybenzene ; 4-tert-Butylcatechin ; 4-tert-Butylpyrocatechol ; 4-tert-Butylpyrokatechin ; 4-tert-Butylpyrokatechin [Czech] ; AI3-24363 ; BRN 2043335 ; CCRIS 3332 ; EINECS 202-653-9 ; NSC 5310 ; Synox TBC ; p-t-Butylpyrocatechol ; p-tert-Butylcatechol ; p-tert-Butylpyrocatechol  ; 1,2-Benzenediol, 4-(1,1-dimethylethyl)- ; Pyrocatechol, 4-tert-butyl- ; p-tert-Butylcatechol ; t-Butyl catechol
CAS NO: 98-29-3
Classification Code: Antioxidants ; Mutation data ; Protective Agents ; Skin / Eye Irritant ; TSCA Flag T [Subject to the Section 4 test rule under TSCA] ; Tumor data 
Melting Point: 52-55 °C 
Index of Refraction: 1.545
Molar Refractivity: 48.4 cm3
Molar Volume: 152.9 cm3
Surface Tension: 40.2 dyne/cm
Density: 1.086 g/cm3
Flash Point: 135.5 °C
Enthalpy of Vaporization: 54.65 kJ/mol
Boiling Point: 286.3 °C at 760 mmHg
Vapour Pressure: 0.00155 mmHg at 25°C

Uses

 4-tert-Butylcatechol (CAS NO.98-29-3) is a derivative of catechol which is used as a stabilizer in the making of polyurethane foam. It is also can be used as an antioxidant for synthetic rubber,polymers and oil derivatives. It can be used as purification agent for aminoformate catalysts. 

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 32mg/kg (32mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07874,
rabbit LD50 skin 630uL/kg (0.63mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LD50 oral 2820mg/kg (2820mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LDLo skin 2gm/kg (2000mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
National Technical Information Service. Vol. OTS0571349,

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Safety Information of 4-tert-Butylcatechol (CAS NO.98-29-3):
Hazard Codes: C  ,N  ,T
Risk Statements: 34-43-51/53-21/22-39/23/24/25-20/21/22-10 
R34: Causes burns. 
R43: May cause sensitization by skin contact. 
R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 
R39: Danger of very serious irreversible effects. 
R23/24/25: Toxic by 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: 26-36/37/39-45-61-24 
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 the label whenever possible.) 
S61: Avoid release to the environment. Refer to special instructions / safety data sheets. 
S24: Avoid contact with skin.
RIDADR: UN 2923 8/PG 3
WGK Germany: 2
RTECS: UX1400000
HazardClass: 8
PackingGroup: III
HS Code: 29072900
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 CO2, dry chemical, fog, mist. When heated to decomposition it emits acrid and irritating fumes.

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