3-Methoxy Benzo[a]pyrene

Modify Date: 2025-08-27 11:54:39

3-Methoxy Benzo[a]pyrene Structure
3-Methoxy Benzo[a]pyrene structure
 Common Name 3-Methoxy Benzo[a]pyrene
CAS Number 63059-68-7 Molecular Weight 282.33500
Density 1.282g/cm3 Boiling Point 498.6ºC at 760 mmHg
Molecular Formula C21H14O Melting Point N/A
MSDS N/A Flash Point 206.4ºC

 Names

Name 3-methoxybenzo[a]pyrene
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.282g/cm3
Boiling Point 498.6ºC at 760 mmHg
Molecular Formula C21H14O
Molecular Weight 282.33500
Flash Point 206.4ºC
Exact Mass 282.10400
PSA 9.23000
LogP 5.74580
Index of Refraction 1.833
InChIKey YVMDKKLTTOBGIC-UHFFFAOYSA-N
SMILES COc1ccc2ccc3c4ccccc4cc4ccc1c2c43

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DJ6475000
CHEMICAL NAME :
Benzo(a)pyrene, 3-methoxy-
CAS REGISTRY NUMBER :
63059-68-7
BEILSTEIN REFERENCE NO. :
3358627
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C21-H14-O
MOLECULAR WEIGHT :
282.35
WISWESSER LINE NOTATION :
L D6 B6666 2AB TJ OO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
16 mg/kg/13W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application
REFERENCE :
BJCAAI British Journal of Cancer. (Macmillan Press Ltd., Houndmills, Basingstoke, Hants. RG21 2XS, UK) V.1- 1947- Volume(issue)/page/year: 6,400,1952
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
20 mg/kg
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Blood - leukemia Tumorigenic - tumors at site of application
REFERENCE :
BJCAAI British Journal of Cancer. (Macmillan Press Ltd., Houndmills, Basingstoke, Hants. RG21 2XS, UK) V.1- 1947- Volume(issue)/page/year: 6,400,1952

 Synthetic Route

 Synonyms

8-Methoxy-3,4-benzpyrene
3-methoxybenzo<a>pyrene
8-methoxybenzo<a>pyrene
3-Methoxy Benzopyrene
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