2-tert-Butyl-1,4-benzoquinone

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Names

[ CAS No. ]:
3602-55-9

[ Name ]:
2-tert-Butyl-1,4-benzoquinone

[Synonym ]:
EINECS 222-757-8
2-tert-butylcyclohexa-2,5-diene-1,4-dione
MFCD00666928

Chemical & Physical Properties

[ Density]:
1.092 g/cm3

[ Boiling Point ]:
227.8ºC at 760 mmHg

[ Melting Point ]:
54-58 °C(lit.)

[ Molecular Formula ]:
C10H12O2

[ Molecular Weight ]:
164.20100

[ Flash Point ]:
82.6ºC

[ Exact Mass ]:
164.08400

[ PSA ]:
34.14000

[ LogP ]:
1.66690

[ Index of Refraction ]:
1.515

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DK3790000
CHEMICAL NAME :
p-Benzoquinone, 2-tert-butyl-
CAS REGISTRY NUMBER :
3602-55-9
BEILSTEIN REFERENCE NO. :
1860944
LAST UPDATED :
199612
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C10-H12-O2
MOLECULAR WEIGHT :
164.22
WISWESSER LINE NOTATION :
L6V DVJ BX1&1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Cytogenetic analysis
TEST SYSTEM :
Rodent - hamster Lung
DOSE/DURATION :
1500 ug/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 241,125,1990

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
DK3790000

[ HS Code ]:
2914690090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-tert-butyl-1,4-dimethoxybenzene
  • tert-Butylhydroquinone
  • 2-tert-Butylphenol
  • 2-tert-Butyl-4-methoxyphenol
  • ((2-(tert-butyl)-1,4-phenylene)bis(oxy))bis(trimethylsilane)
  • 3-(t-Butyl)phenol
  • 2,4-Di-t-butylphenol
  • 2-(tert-Butoxy)-2-oxoaceticacid
  • 1,4-Benzoquinone
  • Pivalic acid

DownStream

  • 2-tert-butyl-6-phenylcyclohexa-2,5-diene-1,4-dione
  • 2-tert-butyl-5-phenyl-1,4-benzoquinone
  • tert-Butylhydroquinone

Customs

[ HS Code ]: 2914690090

[ Summary ]:
2914690090 other quinones。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

Articles

Reduction of cytotoxic p-quinone metabolites of tert-butylhydroquinone by human aldo-keto reductase (AKR) 1B10.

Drug Metab. Pharmacokinet. 27(5) , 553-8, (2012)

2-tert-Butylhydroquinone (BHQ), an antioxidant used as a food additive, exhibits an anticancer effect, whereas it is carcinogenic in rodents at high doses. BHQ is metabolized into cytotoxic tert-butyl...

Paradoxical cytotoxicity of tert-butylhydroquinone in vitro: What kills the untreated cells?

Arch. Toxicol. 86(9) , 1481-7, (2012)

At high concentrations, tert-butylhydroquinone (tBHQ), a phenolic antioxidant frequently used as a food preservative, exerts cytotoxic effects, which are closely linked to its ability to form reactive...

Irreversible inhibition of rat hepatic glutathione S-transferase isoenzymes by a series of structurally related quinones.

Chem. Biol. Interact. 71(4) , 381-92, (1989)

The effect of several structurally related 1,4-benzoquinones (BQ) and 1,4-naphthoquinones (NQ) on the activity of rat hepatic glutathione S-transferases (GST) was studied. For the 1,4-benzoquinones, t...


More Articles

Related Compounds

  • 2-tert-butyl-1-(4,6-dimethylpyrimidin-2-yl)guanidine
  • 2-tert-butyl-1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methylquinolin-4-yl)guanidine
  • 2-tert-butyl-1,4-dihydroquinazolin-4-ol
  • ((2-(tert-butyl)-1,4-phenylene)bis(oxy))bis(trimethylsilane)
  • 2-tert-butyl-1,4,5,6-tetrahydropyrimidin-5-ol,hydrochloride
  • 2-tert-butyl-6-methyl-1,4-benzoquinone
  • N1-(4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)-N2-(pyridin-2-ylmethyl)oxalamide
  • N1-(4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)-N2-(pyridin-3-ylmethyl)oxalamide
  • N1-(4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)-N2-(pyridin-4-ylmethyl)oxalamide
  • N1-methyl-N2-(4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)oxalamide
  • N-ethyl-N'-{11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-6-yl}ethanediamide
  • N1-(4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)-N2-(3-(2-oxopyrrolidin-1-yl)propyl)oxalamide
  • N1-(4-methoxyphenyl)-N2-(4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)oxalamide
  • N1-(4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)-N2-(p-tolyl)oxalamide
  • N1-(4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)-N2-(m-tolyl)oxalamide
  • N'-(2-fluorophenyl)-N-{11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-6-yl}ethanediamide
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