4-tert-Butylcatechol

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Names

[ CAS No. ]:
98-29-3

[ Name ]:
4-tert-Butylcatechol

[Synonym ]:
4-tert-Butylbenzene-1,2-diol
EINECS 202-653-9
4-tert-Butylcatechol
1,2-Benzenediol, 4- (1,1-dimethylethyl)-
p-tert-Butyl catechol
4-tert-Butyl-pyrocatechol
MFCD00002201
1,2-Benzenediol, 4-(1,1-dimethylethyl)-
4-(2-Methyl-2-propanyl)-1,2-benzenediol

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
286.3±20.0 °C at 760 mmHg

[ Melting Point ]:
52-55 °C(lit.)

[ Molecular Formula ]:
C10H14O2

[ Molecular Weight ]:
166.217

[ Flash Point ]:
135.5±16.4 °C

[ Exact Mass ]:
166.099380

[ PSA ]:
40.46000

[ LogP ]:
2.57

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.545

[ Water Solubility ]:
0.2 g/100 mL (25 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UX1400000
CHEMICAL NAME :
Pyrocatechol, 4-tert-butyl-
CAS REGISTRY NUMBER :
98-29-3
BEILSTEIN REFERENCE NO. :
2043335
LAST UPDATED :
199806
DATA ITEMS CITED :
11
MOLECULAR FORMULA :
C10-H14-O2
MOLECULAR WEIGHT :
166.24
WISWESSER LINE NOTATION :
QR BQ DX1&1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2820 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2 gm/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Behavioral - somnolence (general depressed activity) Skin and Appendages - hair
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
32 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
630 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Mutation in mammalian somatic cells
TEST SYSTEM :
Rodent - mouse Lymphocyte
DOSE/DURATION :
80 ug/L
REFERENCE :
EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 11,523,1988 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83681 No. of Facilities: 362 (estimated) No. of Industries: 7 No. of Occupations: 13 No. of Employees: 3887 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83681 No. of Facilities: 1695 (estimated) No. of Industries: 24 No. of Occupations: 43 No. of Employees: 27528 (estimated) No. of Female Employees: 4295 (estimated)

Safety Information

[ Symbol ]:

GHS05, GHS07, GHS09

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H302 + H312-H314-H317-H410

[ Precautionary Statements ]:
P273-P280-P305 + P351 + P338-P310-P501

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges

[ Hazard Codes ]:
C:Corrosive;

[ Risk Phrases ]:
R21;R34;R43

[ Safety Phrases ]:
S26-S36/37/39-S45-S61-S24

[ RIDADR ]:
UN 2923 8/PG 3

[ WGK Germany ]:
2

[ RTECS ]:
UX1400000

[ Packaging Group ]:
III

[ Hazard Class ]:
8

[ HS Code ]:
29072900

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 4-tert-Butylphenol
  • 5-tert-butyl-1,3-benzodioxole
  • 4-tert-butyl-1,2-dimethoxybenzene
  • 2-tert-Butoxyphenol
  • 1,2-Benzenediol
  • tert-Butanol
  • Isobutylene
  • 3,5-Cyclohexadiene-1,2-dione, 4-(1,1-dimethylethyl)-
  • 8-(tert-butyl)-2,5-epoxybenzo[e][1,2,4,7]tetraoxocine
  • 1,2-CYCLOHEXANEDIOL, 4-(1,1-DIMETHYLETHYL)-

DownStream

  • 6-tert-butyl-1,4-benzodioxine
  • 2-tert-Butyl-1,4-benzoquinone
  • 3,4-Dihydro-2H-pyrido(1,2-a)pyrimidin-2-one
  • 4-Fluorocatechol
  • 4-tert-butylbenzo-15-crown-5
  • 1,2-Dimethoxybenzene
  • 2-Methoxy-5-tert-butylphenol
  • 4-tert-butyl-2-methoxyphenol
  • 4-tert-butyl-1,2-dimethoxybenzene
  • Guaiacol

Customs

[ HS Code ]: 29072900

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Related Compounds

  • 2-methoxy-4-tert-butylcatechol
  • 4-tert-butylcatechol-2-phosphate
  • 4-tert-Butylcatechol cyclic phosphate
  • 4-Vinylpyridine-d3, 97 atom % D (Inhibited with 0.1% tert-Butylcatechol)
  • (4-(tert-butyl)-1-chlorocyclohexyl)(phenyl)methanone
  • 4-[tert-butyl(dimethyl)silyl]oxyhex-5-en-1-ol