4-hydroxy-3-(2-methyloctyl)naphthalene-1,2-dione

Names

[ CAS No. ]:
3568-91-0

[ Name ]:
4-hydroxy-3-(2-methyloctyl)naphthalene-1,2-dione

[Synonym ]:
1,4-Naphthalenedione,2-hydroxy-3-(2-methyloctyl)
SN 5949
2-Hydroxy-3-(2-methyl-octyl)-[1,4]naphthochinon
2-Hydroxy-3-(2-methyloctyl)-1,4-naphthoquinone
1,4-NAPHTHOQUINONE,2-HYDROXY-3-(2-METHYLOCTYL)

Chemical & Physical Properties

[ Density]:
1.116g/cm3

[ Boiling Point ]:
440.5ºC at 760 mmHg

[ Molecular Formula ]:
C19H24O3

[ Molecular Weight ]:
300.39200

[ Flash Point ]:
234.3ºC

[ Exact Mass ]:
300.17300

[ PSA ]:
54.37000

[ LogP ]:
4.87430

[ Index of Refraction ]:
1.553

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QL8770000
CHEMICAL NAME :
1,4-Naphthoquinone, 2-hydroxy-3-(2-methyloctyl)-
CAS REGISTRY NUMBER :
3568-91-0
BEILSTEIN REFERENCE NO. :
3311386
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C19-H24-O3

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
85 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GLAQ "A Survey of Antimalarial Drugs, 1941-1945," Wiselogle, F.Y., 2 vols., Ann Arbor, MI, J.W. Edwards, 1946 Volume(issue)/page/year: 1,267,1946
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
>100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GLAQ "A Survey of Antimalarial Drugs, 1941-1945," Wiselogle, F.Y., 2 vols., Ann Arbor, MI, J.W. Edwards, 1946 Volume(issue)/page/year: 1,267,1946 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1800 mg/kg/7D-I
TOXIC EFFECTS :
Related to Chronic Data - death
REFERENCE :
85GLAQ "A Survey of Antimalarial Drugs, 1941-1945," Wiselogle, F.Y., 2 vols., Ann Arbor, MI, J.W. Edwards, 1946 Volume(issue)/page/year: 1,267,1946

Safety Information

[ HS Code ]:
2914690090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1,2,4-Naphthalenetriol,1,2,4-triacetate
  • 1,4-naphthoquinone
  • 2-Hydroxy-1,4-naphoquinone

DownStream

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%

Related Compounds

  • 4-hydroxy-3-(2-methylpropyl)naphthalene-1,2-dione
  • 4-hydroxy-3-(2-phenylbutyl)naphthalene-1,2-dione
  • 1,4-Naphthalenedione,2-hydroxy-3-(2-methyl-1-propen-1-yl)-
  • 4-hydroxy-3-naphthalen-2-ylsulfanyl-naphthalene-1,2-dione
  • 4-hydroxy-3-(3-methylbut-2-enyl)naphthalene-1,2-dione
  • 4-hydroxy-3-(3-methyl-2-oxobutyl)naphthalene-1,2-dione
  • 3-(4-Methoxyphenyl)-1-{5-[4-(trifluoromethyl)pyridin-2-yl]-octahydropyrrolo[3,4-b]pyrrol-1-yl}propan-1-one
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide