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CAS 3602-55-9 | 2-tert-Butyl-1,4-benzoquinone

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Common Name2-tert-Butyl-1,4-benzoquinone
CAS Number3602-55-9Molecular Weight164.20100
Density1.092 g/cm3Boiling Point227.8ºC at 760 mmHg
Molecular FormulaC10H12O2Melting Point54-58 °C(lit.)
MSDSChineseUSAFlash Point82.6ºC
Symbol
GHS07
Signal WordWarning

Names

Name2-tert-Butyl-1,4-benzoquinone
SynonymMore Synonyms

2-tert-Butyl-1,4-benzoquinone BiologicalActivity

Description2-tert-Butyl-1,4-benzoquinone is an electrophilic metabolite of butylated hydroxyanisole and an oxidation product of 2-tert-butylhydroquinone[1].
Related CatalogSignaling Pathways >>Apoptosis >>ApoptosisResearch Areas >>Cancer

Chemical & Physical Properties

Density1.092 g/cm3
Boiling Point227.8ºC at 760 mmHg
Melting Point54-58 °C(lit.)
Molecular FormulaC10H12O2
Molecular Weight164.20100
Flash Point82.6ºC
Exact Mass164.08400
PSA34.14000
LogP1.66690
Index of Refraction1.515
InChIKeyNCCTVAJNFXYWTM-UHFFFAOYSA-N
SMILESCC(C)(C)C1=CC(=O)C=CC1=O

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 WordWarning
Hazard StatementsH315-H319-H335
Precautionary StatementsP261-P305 + P351 + P338
Personal Protective Equipmentdust mask type N95 (US);Eyeshields;Gloves
Hazard CodesXi: Irritant;
Risk PhrasesR36/37/38
Safety PhrasesS26-S36
RIDADRNONH for all modes of transport
WGK Germany3
RTECSDK3790000
HS Code2914690090

Customs

HS Code2914690090
Summary2914690090 other quinones。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

Articles22

More 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...

Synonyms

EINECS 222-757-8
2-tert-butylcyclohexa-2,5-diene-1,4-dione
MFCD00666928

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