2,5-Cyclohexadiene-1,4-dione,2-methoxy-6-methyl-

Modify Date: 2025-08-26 12:00:41

2,5-Cyclohexadiene-1,4-dione,2-methoxy-6-methyl- Structure
2,5-Cyclohexadiene-1,4-dione,2-methoxy-6-methyl- structure
Common Name 2,5-Cyclohexadiene-1,4-dione,2-methoxy-6-methyl-
CAS Number 611-68-7 Molecular Weight 152.14700
Density 1.17g/cm3 Boiling Point 255.2ºC at 760 mmHg
Molecular Formula C8H8O3 Melting Point N/A
MSDS N/A Flash Point 109.4ºC

 Names

Name 2-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.17g/cm3
Boiling Point 255.2ºC at 760 mmHg
Molecular Formula C8H8O3
Molecular Weight 152.14700
Flash Point 109.4ºC
Exact Mass 152.04700
PSA 43.37000
LogP 0.61480
Index of Refraction 1.505
InChIKey HVGWDVJUMODUIZ-UHFFFAOYSA-N
SMILES COC1=CC(=O)C=C(C)C1=O

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DK6140000
CHEMICAL NAME :
p-Benzoquinone, 2-methoxy-6-methyl-
CAS REGISTRY NUMBER :
611-68-7
BEILSTEIN REFERENCE NO. :
2046069
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C8-H8-O3
MOLECULAR WEIGHT :
152.16
WISWESSER LINE NOTATION :
L6V DVJ BO1 F1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
7400 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JANTAJ Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8 Kamiosaki, Shinagawa-ku, Tokyo, 141, Japan) V.2-5, 1948-52; V.21- 1968- Volume(issue)/page/year: 35,985,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
25 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980- Volume(issue)/page/year: 3,304,1980

 Synthetic Route

 Synonyms

2,5-Cyclohexadiene-1,4-dione,2-methoxy-6-methyl
3-Methoxy-2,5-toluquinone
4-Methoxy-toluoquinone
p-Benzoquinone,2-methoxy-6-methyl
2-Methoxy-6-methyl-[1,4]benzochinon
2-methoxy-6-methyl-p-benzoquinone
2-Methoxy-6-methyl-1,4-benzoquinone
2-methoxy-6-methylbenzo-1,4-quinone
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