2-Butenoic acid, 4-(1,3-benzodioxol-5-yl)-4-oxo-, (E)-

Modify Date: 2025-08-24 20:24:16

2-Butenoic acid, 4-(1,3-benzodioxol-5-yl)-4-oxo-, (E)- structure	Common Name	2-Butenoic acid, 4-(1,3-benzodioxol-5-yl)-4-oxo-, (E)-
	CAS Number	84609-13-2	Molecular Weight	220.17800
	Density	1.435g/cm3	Boiling Point	432.5ºC at 760 mmHg
	Molecular Formula	C₁₁H₈O₅	Melting Point	N/A
	MSDS	N/A	Flash Point	175.9ºC

Name	(E)-4-(1,3-benzodioxol-5-yl)-4-oxobut-2-enoic acid

Density	1.435g/cm3
Boiling Point	432.5ºC at 760 mmHg
Molecular Formula	C₁₁H₈O₅
Molecular Weight	220.17800
Flash Point	175.9ºC
Exact Mass	220.03700
PSA	72.83000
LogP	1.23880
Index of Refraction	1.612
InChIKey	GQVPPABCGANXCD-DUXPYHPUSA-N
SMILES	O=C(O)C=CC(=O)c1ccc2c(c1)OCO2

CHEMICAL IDENTIFICATION

RTECS NUMBER :: EM9106700

CHEMICAL NAME :: 2-Butenoic acid, 4-(1,3-benzodioxol-5-yl)-4-oxo-, (E)-

CAS REGISTRY NUMBER :: 84609-13-2

LAST UPDATED :: 199712

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C11-H8-O5

MOLECULAR WEIGHT :: 220.19

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 :: 200 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FRXXBL French Demande Patent Document. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #2504006

HS Code	2932999099

HS Code	2932999099
Summary	2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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