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

N-tert-butyl-1-(piperidin-3-yl)-2-azabicyclo[3.2.0]heptane-2-carboxamide
1-[(2-Bromo-6-nitrophenyl)methyl]-4,4-dimethylpiperidine
1-(2-bromophenyl)-5-methyl-N-(2-methylbutyl)-1H-pyrazol-3-amine
1-{2-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]cyclopropanecarbonyl}azocane-2-carboxylic acid
5-[3-(benzyloxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanamido]-4-methylpentanoic acid
6-Bromo-2,4-diethyl-3-methylquinoline
2-{[3-(benzyloxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanamido]methyl}-2-methylbutanoic acid
methyl 5-hydroxy-1-methyl-4-(4-methyl-1,3-oxazol-2-yl)-1H-pyrazole-3-carboxylate
N-(propan-2-yl)-2-(trifluoromethyl)-1H,2H,3H,4H-imidazo[1,5-a]pyrimidine-8-carboxamide
1-(3-Hydroxyoxan-3-yl)-3-methoxycyclobutane-1-carboxylic acid

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