1-[2-Bromo-4,5-(methylenedioxy)phenyl]-4,4-dimethyl-1-penten-3-ol

Modify Date: 2025-08-26 12:17:15

1-[2-Bromo-4,5-(methylenedioxy)phenyl]-4,4-dimethyl-1-penten-3-ol structure	Common Name	1-[2-Bromo-4,5-(methylenedioxy)phenyl]-4,4-dimethyl-1-penten-3-ol
	CAS Number	58344-97-1	Molecular Weight	313.18700
	Density	1.412g/cm3	Boiling Point	407.3ºC at 760 mmHg
	Molecular Formula	C₁₄H₁₇BrO₃	Melting Point	N/A
	MSDS	N/A	Flash Point	200.1ºC

Name	(E)-1-(6-bromo-1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-ol

Density	1.412g/cm3
Boiling Point	407.3ºC at 760 mmHg
Molecular Formula	C₁₄H₁₇BrO₃
Molecular Weight	313.18700
Flash Point	200.1ºC
Exact Mass	312.03600
PSA	38.69000
LogP	3.59800
Index of Refraction	1.601
InChIKey	OQUITDMXNKWHMX-SNAWJCMRSA-N
SMILES	CC(C)(C)C(O)C=Cc1cc2c(cc1Br)OCO2

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SB3366000

CHEMICAL NAME :: 1-Penten-3-ol, 1-(2-bromo-4,5-methylenedioxyphenyl)-4,4-dimethyl-

CAS REGISTRY NUMBER :: 58344-97-1

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C14-H17-Br-O3

MOLECULAR WEIGHT :: 313.22

WISWESSER LINE NOTATION :: T56 BO DO CHJ GE H1X1&1&YQ1U1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

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: #2253503

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Product Name: 1-[2-Bromo-4,5-(methylenedioxy)phenyl]-4,4-dimethyl-1-penten-3-ol
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