Phthiocol

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Names

[ CAS No. ]:
483-55-6

[ Name ]:
Phthiocol

[Synonym ]:
1,4-Naphthalenedione,2-hydroxy-3-methyl
2-hydroxy-3-methyl-1,4-naphthalenedione
Phthiokol
3-Hydroxy-2-methyl-1,4-naphthoquinone
Phthiocol
EINECS 207-594-2
2-Methyl-3-hydroxy-1,4-naphthoquinone
1,4-Naphthoquinone,2-hydroxy-3-methyl
2-Hydroxy-3-methyl-1,4-naphthoquinone
2-hydroxy-3-methylnaphthalene-1,4-dione

Chemical & Physical Properties

[ Density]:
1.389 g/cm3

[ Boiling Point ]:
342.655ºC at 760 mmHg

[ Molecular Formula ]:
C₁₁H₈O₃

[ Molecular Weight ]:
188.17900

[ Flash Point ]:
175.232ºC

[ Exact Mass ]:
188.04700

[ PSA ]:
54.37000

[ LogP ]:
1.89760

[ Vapour Pressure ]:
0mmHg at 25°C

[ Index of Refraction ]:
1.646

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: QL8485000

CHEMICAL NAME :: 1,4-Naphthoquinone, 2-hydroxy-3-methyl-

CAS REGISTRY NUMBER :: 483-55-6

BEILSTEIN REFERENCE NO. :: 1868473

LAST UPDATED :: 199709

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C11-H8-O3

MOLECULAR WEIGHT :: 188.19

WISWESSER LINE NOTATION :: L66 BV EVJ CQ D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 200 mg/kg

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

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 150 mg/kg

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

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Bird - chicken

DOSE/DURATION :: 100 mg/kg

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

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3 gm/kg/30D-I

TOXIC EFFECTS :: Blood - pigmented or nucleated red blood cells Blood - changes in erythrocyte (RBC) count

MUTATION DATA

TYPE OF TEST :: DNA inhibition

TEST SYSTEM :: Human HeLa cell

DOSE/DURATION :: 4 mmol/L

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 93,447,1982

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

2-Methyl-1-naphthol
1,2,4-triacetoxy-3-methylnaphthalene
Formaldehyde
2-Hydroxy-1,4-naphoquinone
2-METHYL-2,3-EPOXY-2,3-DIHYDRO-1,4-NAPHTOQUINONE
Dimethyl sulfoxide
Ethanoic anhydride
Peroxide, diacetyl
Menadione
3-Methyl-2-naphthol

DownStream

3-hept-1-enyl-4-hydroxynaphthalene-1,2-dione
2-methyl-3-phenylnaphthalene-1,4-dione
2-Hydroxy-1,4-naphoquinone
(2-pyruvoyl-phenyl)-glyoxylic acid
O-PROPIONYLBENZOIC ACID
1,4-Naphthalenedione,2-hydroxy-3-(1-propen-1-yl)-
Hydrazinecarbothioamide,2-(2-hydroxy-3-methyl-4-oxo-1(4H)-naphthalenylidene)-
1,4-Naphthalenedione,2-(1-buten-1-yl)-3-hydroxy-
2-chloro-3-methylnaphthalene-1,4-dione
2-Acetoxy-3-methyl-1,4-naphthoquinone

Related Compounds

8-Nitroso-8-azabicyclo[3.2.1]octane-3-carboxylic acid
7-nitroso-3-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-1-carboxylic acid
2-{8-Nitroso-5-oxa-8-azaspiro[3.5]nonan-6-yl}acetic acid
3-Fluoro-1-nitroso-4-phenylpyrrolidine-3-carboxylic acid
2-(4-Nitrosopiperazin-1-yl)-1,3-benzoxazole-7-carboxylic acid
2-[(4-{[(Methoxycarbonyl)amino]sulfonyl}phenyl)carbamoyl]acetic acid
3-{[(3-Fluorophenyl)methyl](nitroso)amino}propanoic acid
4-(3-Methylphenyl)-1-nitrosopiperidine-4-carboxylic acid
1-Nitroso-9-oxa-1-azaspiro[5.5]undecane-3-carboxylic acid
4-(Difluoromethyl)-1-nitrosopyrrolidine-3-carboxylic acid

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