7-AcetoxyMethylbenz[a]anthracene

Modify Date: 2025-08-27 14:10:38

7-AcetoxyMethylbenz[a]anthracene structure	Common Name	7-AcetoxyMethylbenz[a]anthracene
	CAS Number	17526-24-8	Molecular Weight	300.35100
	Density	1.227g/cm3	Boiling Point	500.1ºC at 760 mmHg
	Molecular Formula	C₂₁H₁₆O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	204.6ºC

Name	benzo[a]anthracen-7-ylmethyl acetate
Synonym	More Synonyms

Density	1.227g/cm3
Boiling Point	500.1ºC at 760 mmHg
Molecular Formula	C₂₁H₁₆O₂
Molecular Weight	300.35100
Flash Point	204.6ºC
Exact Mass	300.11500
PSA	26.30000
LogP	5.20930
Vapour Pressure	3.9E-10mmHg at 25°C
Index of Refraction	1.711
InChIKey	TUXPBTQUURFHPD-UHFFFAOYSA-N
SMILES	CC(=O)OCc1c2ccccc2cc2c1ccc1ccccc12

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CW8575000

CHEMICAL NAME :: Benz(a)anthracene-7-methanol, acetate

CAS REGISTRY NUMBER :: 17526-24-8

BEILSTEIN REFERENCE NO. :: 2144721

LAST UPDATED :: 199612

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C21-H16-O2

MOLECULAR WEIGHT :: 300.37

WISWESSER LINE NOTATION :: L D6 B666J J1OV1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 16 mg/kg/17W-I

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Skin and Appendages - tumors Tumorigenic - tumors at site of application

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1200 mg/kg/17W-I

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application

TYPE OF TEST :: TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 744 mg/kg/31W-I

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Skin and Appendages - tumors Tumorigenic - tumors at site of application

MUTATION DATA

TYPE OF TEST :: Mutation in microorganisms

TEST SYSTEM :: Bacteria - Salmonella typhimurium

DOSE/DURATION :: 1 nmol/plate

REFERENCE :: DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 2,383,1979

Precursor 7
CAS#:2541-69-7 7-Methyltetraphene CAS#:56-55-3 Benz(a)anthracene CAS#:2498-66-0 1,2-Benzanthraq... CAS#:546-67-8 lead tetraacetate
CAS#:64-19-7 acetic acid CAS#:6325-54-8 7-CHLOROMETHYL ... CAS#:127-08-2 Potassium acetate
DownStream 1
CAS#:16110-13-7 7-hydroxymethyl...

7-Acetoxymethylbenz<a>anthracen

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