4-(1,3-benzodioxol-5-yl)-2-hydroxy-4-oxobutanoic acid

Modify Date: 2025-09-25 00:34:34

4-(1,3-benzodioxol-5-yl)-2-hydroxy-4-oxobutanoic acid structure	Common Name	4-(1,3-benzodioxol-5-yl)-2-hydroxy-4-oxobutanoic acid
	CAS Number	84609-14-3	Molecular Weight	238.19300
	Density	1.51g/cm3	Boiling Point	545.5ºC at 760 mmHg
	Molecular Formula	C₁₁H₁₀O₆	Melting Point	N/A
	MSDS	N/A	Flash Point	220.5ºC

Name	4-(1,3-benzodioxol-5-yl)-2-hydroxy-4-oxobutanoic acid

Density	1.51g/cm3
Boiling Point	545.5ºC at 760 mmHg
Molecular Formula	C₁₁H₁₀O₆
Molecular Weight	238.19300
Flash Point	220.5ºC
Exact Mass	238.04800
PSA	93.06000
LogP	0.43360
Index of Refraction	1.611
InChIKey	FHPGAVJHVGTMET-UHFFFAOYSA-N
SMILES	O=C(CC(O)C(=O)O)c1ccc2c(c1)OCO2

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DF4912175

CHEMICAL NAME :: 1,3-Benzodioxole-5-butanoic acid, alpha-hydroxy-gamma-oxo-

CAS REGISTRY NUMBER :: 84609-14-3

LAST UPDATED :: 199712

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C11-H10-O6

MOLECULAR WEIGHT :: 238.21

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

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