Pyrolin

Names

[ CAS No. ]:
95-71-6

[ Name ]:
Pyrolin

[Synonym ]:
2-Methylbenzene-1,4-diol
2-Methyl-1,4-benzenediol
MFCD00002345
2-Methylhydroquinone
EINECS 202-443-7
1,4-Benzenediol, 2-methyl-
QR DQ B1

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
277.8±20.0 °C at 760 mmHg

[ Melting Point ]:
125-128ºC

[ Molecular Formula ]:
C₇H₈O₂

[ Molecular Weight ]:
124.137

[ Flash Point ]:
140.2±16.4 °C

[ Exact Mass ]:
124.052429

[ PSA ]:
40.46000

[ LogP ]:
1.10

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.595

[ Stability ]:
Stable. Combustible. Incompatible with oxidizing agents, strong bases.

[ Water Solubility ]:
77 g/L (25 ºC)

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MX6700000

CHEMICAL NAME :: Hydroquinone, methyl-

CAS REGISTRY NUMBER :: 95-71-6

BEILSTEIN REFERENCE NO. :: 2041489

LAST UPDATED :: 199706

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C7-H8-O2

MOLECULAR WEIGHT :: 124.15

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 :: 200 mg/kg

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

REFERENCE :: KODAK* Kodak Company Reports. (343 State St., Rochester, NY 14650) Volume(issue)/page/year: 21MAY1971

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 200 mg/kg

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

REFERENCE :: KODAK* Kodak Company Reports. (343 State St., Rochester, NY 14650) Volume(issue)/page/year: 21MAY1971

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >400 mg/kg

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

REFERENCE :: KODAK* Kodak Company Reports. (343 State St., Rochester, NY 14650) Volume(issue)/page/year: 21MAY1971

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: >1 gm/kg

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

REFERENCE :: KODAK* Kodak Company Reports. (343 State St., Rochester, NY 14650) Volume(issue)/page/year: 21MAY1971 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83745 No. of Facilities: 16 (estimated) No. of Industries: 1 No. of Occupations: 4 No. of Employees: 948 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83745 No. of Facilities: 77 (estimated) No. of Industries: 3 No. of Occupations: 5 No. of Employees: 2767 (estimated) No. of Female Employees: 806 (estimated)

Safety Information

[ 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 ]:
Xn:Harmful;

[ Risk Phrases ]:
R22

[ Safety Phrases ]:
26-36

[ RIDADR ]:
UN 2811

[ WGK Germany ]:
2

[ RTECS ]:
MX6700000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1(b)

[ HS Code ]:
29072900

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

o-cresol
m-Cresol
Methanol
Hydroquinone
2-Methylcyclohexa-2,5-diene-1,4-dione
4-(cyclopenten-1-yl)-o-cresol
4-(cyclopenten-2-yl)-o-cresol
Cellulose microcrystalline
2,5-Cyclohexadien-1-one,4-hydroxy-4-methyl-
(1S,1aS,1a1R,2R,4aS,5R,6aR,7S)-1-methyloctahydro-2,5,1-(epiethane[1,1,2]triyl)cyclobuta[cd]indene-6,8(1a1H)-dione

DownStream

4-[tert-butyl(diphenyl)silyl]oxy-2-methylphenol
Menadiol
BROMODICHLOROMETHANE
Chloroform
DIBROMOCHLOROMETHANE
Bromoform
Menadione
2-methyl-5,8-dimethoxy-5,8-dihydro-1,4-naphthoquinone
2-Methylcyclohexa-2,5-diene-1,4-dione

Customs

[ HS Code ]: 2907299090

[ Summary ]:
2907299090 polyphenols; phenol-alcohols。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:5.5%。general tariff:30.0%

Articles

Altering toluene 4-monooxygenase by active-site engineering for the synthesis of 3-methoxycatechol, methoxyhydroquinone, and methylhydroquinone.

J. Bacteriol. 186(14) , 4705-13, (2004)

Wild-type toluene 4-monooxygenase (T4MO) of Pseudomonas mendocina KR1 oxidizes toluene to p-cresol (96%) and oxidizes benzene sequentially to phenol, to catechol, and to 1,2,3-trihydroxybenzene. In th...

Toluquinol, a marine fungus metabolite, is a new angiosuppresor that interferes with the Akt pathway.

Biochem. Pharmacol. 85(12) , 1727-40, (2013)

Toluquinol, a methylhydroquinone produced by a marine fungus, was selected in the course of a blind screening for new potential inhibitors of angiogenesis. In the present study we provide the first ev...

Possible tumor-initiating and -promoting activity of p-methylcatechol and methylhydroquinone in the pyloric mucosa of rat stomach.

Jpn. J. Cancer Res. 84(3) , 223-9, (1993)

The possible tumor-promoting and tumor-initiating activities of p-methylcatechol and methylhydroquinone in the pyloric mucosa of male F344 rats were studied. Ornithine decarboxylase (ODC) and replicat...