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

Modify Date: 2024-07-18 15:48:46

1-[2-Chloro-4,5-(methylenedioxy)phenyl]-4,4-dimethyl-1-penten-3-ol structure	Common Name	1-[2-Chloro-4,5-(methylenedioxy)phenyl]-4,4-dimethyl-1-penten-3-ol
	CAS Number	58345-04-3	Molecular Weight	268.73600
	Density	1.235g/cm3	Boiling Point	397.6ºC at 760 mmHg
	Molecular Formula	C₁₄H₁₇ClO₃	Melting Point	N/A
	MSDS	N/A	Flash Point	194.3ºC

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

Density	1.235g/cm3
Boiling Point	397.6ºC at 760 mmHg
Molecular Formula	C₁₄H₁₇ClO₃
Molecular Weight	268.73600
Flash Point	194.3ºC
Exact Mass	268.08700
PSA	38.69000
LogP	3.48890
Index of Refraction	1.587
InChIKey	QEOJXWCKXMKIBI-SNAWJCMRSA-N
SMILES	CC(C)(C)C(O)C=Cc1cc2c(cc1Cl)OCO2

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SB3372000

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

CAS REGISTRY NUMBER :: 58345-04-3

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C14-H17-Cl-O3

MOLECULAR WEIGHT :: 268.76

WISWESSER LINE NOTATION :: T56 BO DO CHJ GG 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 :: 1500 mg/kg

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

REFERENCE :: EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 13,41,1978

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Dayang Chem (Hangzhou) Co., Ltd.
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Product Name: 1-[2-Chloro-4,5-(methylenedioxy)phenyl]-4,4-dimethyl-1-penten-3-ol
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Purity: 98.0%
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