CAS 137-18-8|2,5-Dimethylquinone

Introduction：Basic information about CAS 137-18-8|2,5-Dimethylquinone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
MUTATION DATA
4. Safety Information
5. Customs
6. Articles13
7. Synonyms

Common Name	2,5-Dimethylquinone
CAS Number	137-18-8	Molecular Weight	136.148
Density	1.1±0.1 g/cm3	Boiling Point	200.9±15.0 °C at 760 mmHg
Molecular Formula	C₈H₈O₂	Melting Point	123-125ºC
MSDS	ChineseUSA	Flash Point	71.1±17.4 °C
Symbol	GHS06	Signal Word	Danger

Names

Name	p-xyloquinone
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.1±0.1 g/cm3
Boiling Point	200.9±15.0 °C at 760 mmHg
Melting Point	123-125ºC
Molecular Formula	C₈H₈O₂
Molecular Weight	136.148
Flash Point	71.1±17.4 °C
Exact Mass	136.052429
PSA	34.14000
LogP	1.45
Appearance of Characters	Crystalline Powder \| Yellow to brown
Vapour Pressure	0.3±0.4 mmHg at 25°C
Index of Refraction	1.511
InChIKey	MYKLQMNSFPAPLZ-UHFFFAOYSA-N
SMILES	CC1=CC(=O)C(C)=CC1=O
Water Solubility	toluene: soluble0.5g/10 mL, clear to faintly turbid, yellow to brown

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DK4800000

CHEMICAL NAME :: p-Benzoquinone, 2,5-dimethyl-

CAS REGISTRY NUMBER :: 137-18-8

LAST UPDATED :: 199701

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C8-H8-O2

MOLECULAR WEIGHT :: 136.16

WISWESSER LINE NOTATION :: L6V DVJ B1 E1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 500 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 :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 290 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 11 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 43 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold

MUTATION DATA

TYPE OF TEST :: Mutation in microorganisms

TEST SYSTEM :: Bacteria - Salmonella typhimurium

DOSE/DURATION :: 40 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

Safety Information

Symbol	GHS06
Signal Word	Danger
Hazard Statements	H301-H315-H319-H335
Precautionary Statements	P261-P301 + P310-P305 + P351 + P338
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard Codes	Xn: Harmful;
Risk Phrases	R22
Safety Phrases	26-37/39
RIDADR	UN 2811 6.1/PG 3
WGK Germany	3
RTECS	DK4800000
HS Code	2914690090

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%

Articles13

Enantioselective total synthesis of cyathin A3.

Org. Lett. 9(15) , 2843-6, (2007)

The total synthesis of (-)-cyathin A3 is described. The key step involves an unusual enantioselective Diels-Alder reaction of 2,5-dimethyl-1,4-benzoquinone with 2,4-bis(trimethylsilyloxy)-1,3-pentadie...

Chemical defense of an opilionid (Acanthopachylus aculeatus).

J. Exp. Biol. 207(Pt 8) , 1313-21, (2004)

The opilionid Acanthopachylus aculeatus was shown to produce a defensive secretion containing quinones (2,3-dimethyl-1,4-benzoquinone, 2,5-dimethyl-1,4-benzoquinone and 2,3,5-trimethyl-1,4-benzoquinon...

Inhibition of jack bean urease by 1,4-benzoquinone and 2,5-dimethyl-1,4-benzoquinone. Evaluation of the inhibition mechanism.

J. Enzyme Inhib. Med. Chem. 17(4) , 247-53, (2002)

1,4-benzoquinone (BQ) and 2,5-dimethyl-1,4-benzoquinone (DMBQ) were studied as inhibitors of jack bean urease in 50 mM phosphate buffer, pH 7.0. The mechanisms of inhibition were evaluated by progress...

Synonyms

2,5-dimethyl-p-benzoquinone

2,5-Dimethyl-1,4-benzoquinone

MFCD00041737

EINECS 205-283-6

p-Xyloquinone

2,5-Dimethylbenzoquinone

2,5-Dimethyl-p-quinone

2,5-Cyclohexadiene-1,4-dione, 2,5-dimethyl-

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

2,5-Dimethylquinone

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