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

Modify Date: 2025-09-21 17:26:10

4-hydroxy-3-(2-methyloctyl)naphthalene-1,2-dione Structure
4-hydroxy-3-(2-methyloctyl)naphthalene-1,2-dione structure
Common Name 4-hydroxy-3-(2-methyloctyl)naphthalene-1,2-dione
CAS Number 3568-91-0 Molecular Weight 300.39200
Density 1.116g/cm3 Boiling Point 440.5ºC at 760 mmHg
Molecular Formula C19H24O3 Melting Point N/A
MSDS N/A Flash Point 234.3ºC

 Names

Name 4-hydroxy-3-(2-methyloctyl)naphthalene-1,2-dione
Synonym More Synonyms

 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
InChIKey OCFLQPHYDHBHOU-UHFFFAOYSA-N
SMILES CCCCCCC(C)CC1=C(O)c2ccccc2C(=O)C1=O

 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

 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%

 Bioassay

View more

Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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 Synonyms

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)
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