2-(5-hydroxy-1,4-dioxonaphthalen-2-yl)-3-methoxy-5-methylbenzoic acid

Modify Date: 2024-01-09 14:32:27

2-(5-hydroxy-1,4-dioxonaphthalen-2-yl)-3-methoxy-5-methylbenzoic acid Structure
2-(5-hydroxy-1,4-dioxonaphthalen-2-yl)-3-methoxy-5-methylbenzoic acid structure
Common Name 2-(5-hydroxy-1,4-dioxonaphthalen-2-yl)-3-methoxy-5-methylbenzoic acid
CAS Number 76191-52-1 Molecular Weight 338.31100
Density 1.433g/cm3 Boiling Point 626.2ºC at 760 mmHg
Molecular Formula C19H14O6 Melting Point N/A
MSDS N/A Flash Point 231.5ºC

 Names

Name 2-(5-hydroxy-1,4-dioxonaphthalen-2-yl)-3-methoxy-5-methylbenzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.433g/cm3
Boiling Point 626.2ºC at 760 mmHg
Molecular Formula C19H14O6
Molecular Weight 338.31100
Flash Point 231.5ºC
Exact Mass 338.07900
PSA 100.90000
LogP 2.87000
Index of Refraction 1.665

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DG8576080
CHEMICAL NAME :
Benzoic acid, 2-(1,4-dihydro-5-hydroxy-1,4-dioxo-2-naphthalenyl)-3- methoxy-5-methyl-
CAS REGISTRY NUMBER :
76191-52-1
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C19-H14-O6
MOLECULAR WEIGHT :
338.33

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JANTAJ Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8 Kamiosaki, Shinagawa-ku, Tokyo, 141, Japan) V.2-5, 1948-52; V.21- 1968- Volume(issue)/page/year: 33,1107,1980
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Bird - chicken
DOSE/DURATION :
>200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JANTAJ Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8 Kamiosaki, Shinagawa-ku, Tokyo, 141, Japan) V.2-5, 1948-52; V.21- 1968- Volume(issue)/page/year: 33,1107,1980

 Synthetic Route

 Synonyms

Benzoic acid,2-(1,4-dihydro-5-hydroxy-1,4-dioxo-2-naphthalenyl)-3-methoxy-5-methyl
WS-5995 B
2-(5-hydroxy-1,4-naphthoquinon-2-yl)-3-methoxy-5-methylbenzoic acid
Antibiotic WS 5995B
2-(1,4-Dihydro-5-hydroxy-1,4-dioxo-2-naphthalenyl)-3-methoxy-5-methylbenzoic acid