2-Methylcyclohexa-2,5-diene-1,4-dione

Modify Date: 2025-08-21 15:33:55

2-Methylcyclohexa-2,5-diene-1,4-dione structure	Common Name	2-Methylcyclohexa-2,5-diene-1,4-dione
	CAS Number	553-97-9	Molecular Weight	122.121
	Density	1.2±0.1 g/cm3	Boiling Point	186.6±15.0 °C at 760 mmHg
	Molecular Formula	C₇H₆O₂	Melting Point	66-67 °C(lit.)
	MSDS	Chinese USA	Flash Point	64.9±17.4 °C
	Symbol	GHS07	Signal Word	Warning

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

Density	1.2±0.1 g/cm3
Boiling Point	186.6±15.0 °C at 760 mmHg
Melting Point	66-67 °C(lit.)
Molecular Formula	C₇H₆O₂
Molecular Weight	122.121
Flash Point	64.9±17.4 °C
Exact Mass	122.036781
PSA	34.14000
LogP	0.86
Vapour Pressure	0.7±0.4 mmHg at 25°C
Index of Refraction	1.524
InChIKey	VTWDKFNVVLAELH-UHFFFAOYSA-N
SMILES	CC1=CC(=O)C=CC1=O
Water Solubility	insoluble

2-Methylcyclohexa-2,5-diene-1,4-dione MSDS(Chinese)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DK6300000

CHEMICAL NAME :: p-Benzoquinone, 2-methyl-

CAS REGISTRY NUMBER :: 553-97-9

LAST UPDATED :: 199710

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C7-H6-O2

MOLECULAR WEIGHT :: 122.13

WISWESSER LINE NOTATION :: L6V DVJ B1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 250 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :: Mutation in microorganisms

TEST SYSTEM :: Bacteria - Salmonella typhimurium

DOSE/DURATION :: 1200 nmol/plate

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 347,37,1995 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X7308 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 1822 (estimated) No. of Female Employees: 272 (estimated)

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H302-H315-H319-H335
Precautionary Statements	P261-P305 + P351 + P338
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard Codes	T:Toxic;
Risk Phrases	R25;R36/37/38
Safety Phrases	S26-S45-S37/39-S28A
RIDADR	NONH for all modes of transport
WGK Germany	3
RTECS	DK6300000
Packaging Group	II; III
Hazard Class	4.1
HS Code	29146990

Precursor 10
CAS#:24599-58-4 2,5-dimethoxytoluene CAS#:527-85-5 2-Methylbenzamide CAS#:108-39-4 m-Cresol CAS#:95-48-7 o-cresol
CAS#:119711-73-8 4-tert-butylper... CAS#:95-70-5 2,5-Diaminotoluene CAS#:95-71-6 Pyrolin CAS#:95-53-4 o-Toluidine
CAS#:2835-99-6 4-Amino-3-methy... CAS#:78018-56-1 (2-methyl-1,4-p...
DownStream 10
CAS#:110519-58-9 7-methoxy-3-met... CAS#:35458-39-0 4-bromo-2,5-dim... CAS#:498-24-8 Mesaconic acid CAS#:64-18-6 Formic Acid
CAS#:87-69-4 Tartaric acid CAS#:110-16-7 Maleic acid CAS#:15777-70-5 4-hydroxy-3-met... CAS#:14143-26-1 4-Hydroxy-2-met...
CAS#:481-85-6 Menadiol CAS#:482-70-2 Chimaphilin

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%

Indoleamine 2,3-dioxygenase is the anticancer target for a novel series of potent naphthoquinone-based inhibitors.

J. Med. Chem. 51 , 1706-18, (2008)

Indoleamine 2,3-dioxygenase (IDO) is emerging as an important new therapeutic target for the treatment of cancer, chronic viral infections, and other diseases characterized by pathological immune supp...

A class of benzenoid chemicals suppresses apoptosis in C. elegans.

ChemBioChem. 7(12) , 2010-5, (2006)

Benzene is a human carcinogen that might act through both genotoxic and nongenotoxic mechanisms to promote tumorigenesis. The genotoxic effects of benzene are well established, however, its potential ...

Oxidative DNA damage by minor metabolites of toluene may lead to carcinogenesis and reproductive dysfunction.

Biochem. Biophys. Res. Commun. 261(2) , 478-83, (1999)

Recently, the concern that toluene might have carcinogenic and reproductive toxic potential has been raised. We investigated the ability of DNA damage by minor metabolites of toluene, methylhydroquino...

Name: Growth inhibition of SV-40 immortalized human ovarian epithelial cells after 72 hrs b...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4189095

Name: Termiticidal activity against Coptotermes formosanus placed on 1 % wt/wt compound tre...
Source: ChEMBL
Target: Coptotermes formosanus
External Id: CHEMBL3053127

Name: Inhibition of purified human recombinant IDO
Source: ChEMBL
Target: Indoleamine 2,3-dioxygenase 1
External Id: CHEMBL935410

Name: Termiticidal activity against Coptotermes formosanus placed on 1 % wt/wt compound tre...
Source: ChEMBL
Target: Coptotermes formosanus
External Id: CHEMBL3053128

Name: Termiticidal activity against Coptotermes formosanus placed on 1 % wt/wt compound tre...
Source: ChEMBL
Target: Coptotermes formosanus
External Id: CHEMBL3053129

Name: Growth inhibition of human A2780 cells after 72 hrs by SRB assay
Source: ChEMBL
Target: A2780
External Id: CHEMBL4189085

Name: Growth inhibition of human OVCAR8 cells after 72 hrs by SRB assay
Source: ChEMBL
Target: OVCAR-8
External Id: CHEMBL4189086

Name: Antimicrobial activity against Micrococcus luteus DSM 348 after 18 hrs by twofold ser...
Source: ChEMBL
Target: Micrococcus luteus
External Id: CHEMBL1009527

Name: Antimicrobial activity against Bacillus subtilis DSM 347 after 18 hrs by twofold seri...
Source: ChEMBL
Target: Bacillus subtilis
External Id: CHEMBL1020988

Name: Inhibition of Schistosoma mansoni DHODH using DHO as substrate measured at 4 secs int...
Source: ChEMBL
Target: Dihydroorotate dehydrogenase (quinone), mitochondrial
External Id: CHEMBL4390974

Total 28, Current Page 1 of 3

2-methylbenzoquinone

2-Methylquinone

p-Toluquinone

2-Methyl-1,4-benzoquinone

MFCD00001603

2-methyl-p-benzoquinone

2-Methyl-2,5-cyclohexadiene-1,4-dione

Methylquinone

2-methylbenzo-1,4-quinone

Tolylquinone

monomethyl-1,4-benzoquinone

Methylbenzoquinone

Toluquinone

EINECS 209-056-2

p-Benzoquinone,2-methyl

Methyl-p-benzoquinone

methyl-1,4-benzoquinone

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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: 2-Methylcyclohexa-2,5-diene-1,4-dione
Price: Check
Purity: 99.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: p-Toluquinone
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

Shanghai Jizhi Biochemical Technology Co., Ltd
China
Product Name: 2-Methylcyclohexa-2,5-diene-1,4-dione
Price: ￥378.0/100g ￥138.0/25g
Purity: 98.0%
Delivery: 2 Day
Contact: Liu jia
Email: 2130147988@qq.com

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2-Methylcyclohexa-2,5-diene-1,4-dione

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Chemical & Physical Properties

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

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Articles15

2-Methylcyclohexa-2,5-diene-1,4-dioneBioassay

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.