benzo[b]pyren-6-ylmethyl benzoate

Modify Date: 2025-08-25 13:56:37

benzo[b]pyren-6-ylmethyl benzoate Structure
benzo[b]pyren-6-ylmethyl benzoate structure
Common Name benzo[b]pyren-6-ylmethyl benzoate
CAS Number 42978-42-7 Molecular Weight 386.44100
Density 1.311g/cm3 Boiling Point 609.5ºC at 760 mmHg
Molecular Formula C28H18O2 Melting Point N/A
MSDS N/A Flash Point 260.2ºC

 Names

Name benzo[b]pyren-6-ylmethyl benzoate

 Chemical & Physical Properties

Density 1.311g/cm3
Boiling Point 609.5ºC at 760 mmHg
Molecular Formula C28H18O2
Molecular Weight 386.44100
Flash Point 260.2ºC
Exact Mass 386.13100
PSA 26.30000
LogP 7.09420
Index of Refraction 1.805
InChIKey MEGZLHDPOVJNPI-UHFFFAOYSA-N
SMILES O=C(OCc1c2ccccc2c2ccc3cccc4ccc1c2c43)c1ccccc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DJ4825000
CHEMICAL NAME :
Benzo(a)pyrene, 6-benzoyloxymethyl-
CAS REGISTRY NUMBER :
42978-42-7
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C28-H18-O2
MOLECULAR WEIGHT :
386.46
WISWESSER LINE NOTATION :
L D6 B6666 2AB TJ J1OVR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
100 mg/kg/40D-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Tumorigenic - tumors at site of application
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 16,714,1973
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2898 ug/kg/60D-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Tumorigenic - tumors at site of application
REFERENCE :
CBINA8 Chemico-Biological Interactions. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1969- Volume(issue)/page/year: 29,159,1980

 Safety Information

HS Code 2916310090

 Customs

HS Code 2916310090
Summary 2916310090 other benzoic acid and its salts and esters。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。general tariff:30.0%
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