1-(3,4-Methylenedioxyphenyl)-1-penten-3-one supplier

Name
1-(3,4-Methylenedioxyphenyl)-1-penten-3-one
EINECS
CAS No. 10354-27-5
Article Data4
CAS DataBase
Density 1.189g/cm³
Solubility
Melting Point
Formula C₁₂H₁₂O₃
Boiling Point 346.7 °C at 760 mmHg
Molecular Weight 204.225
Flash Point 154.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Penten-3-one,1-[3,4-(methylenedioxy)phenyl]- (7CI,8CI);
PSA 35.53000
LogP 2.40760

1-(3,4-Methylenedioxyphenyl)-1-penten-3-one Specification

The 1-(3,4-Methylenedioxyphenyl)-1-penten-3-one, with CAS registry number of 10354-27-5, has the systematic name of (1E)-1-(1,3-benzodioxol-5-yl)pent-1-en-3-one. And its IUPAC name is the same one. Besides this, it is also named 1-(3,4-Methylenedioxyphenyl)-1-penten-3-one 95%.

Physical properties about this chemical are: (1)ACD/LogP: 2.83; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 35.53 Å²; (7)Index of Refraction: 1.585; (8)Molar Refractivity: 57.59 cm³; (9)Molar Volume: 171.7 cm³; (10)Polarizability: 22.83×10^-24cm³; (11)Surface Tension: 47.2 dyne/cm; (12)Enthalpy of Vaporization: 59.09 kJ/mol; (13)Vapour Pressure: 5.64E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(\C=C\c1ccc2OCOc2c1)CC
(2)InChI: InChI=1/C12H12O3/c1-2-10(13)5-3-9-4-6-11-12(7-9)15-8-14-11/h3-7H,2,8H2,1H3/b5-3+
(3)InChIKey: HIHLSOAEMNBULL-HWKANZROBB
(4)Std. InChI: InChI=1S/C12H12O3/c1-2-10(13)5-3-9-4-6-11-12(7-9)15-8-14-11/h3-7H,2,8H2,1H3/b5-3+
(5)Std. InChIKey: HIHLSOAEMNBULL-HWKANZROSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	> 2gm/kg (2000mg/kg)		European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 41, 1978.

Product Name

1-(3,4-Methylenedioxyphenyl)-1-penten-3-one

1-(3,4-Methylenedioxyphenyl)-1-penten-3-one Specification

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