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100347-96-4

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CAS No.: 100347-96-4
Name: (1S,6β)-1β-Methyl-4-(1-methylethylidene)-7β-(3-oxobutyl)bicyclo[4.1.0]heptan-3-one
Article Data: 5
Molecular Structure:
Molecular Structure of 100347-96-4 ((1S,6β)-1β-Methyl-4-(1-methylethylidene)-7β-(3-oxobutyl)bicyclo[4.1.0]heptan-3-one)
Formula: C15H22 O2
Molecular Weight: 234.338
Synonyms: Bicyclo[4.1.0]heptan-3-one,1-methyl-4-(1-methylethylidene)-7-(3-oxobutyl)-, [1S-(1a,6a,7a)]-; Curcumenone
Density: 1.036g/cm3
Melting Point: 28 °C (hexane)
Boiling Point: 343.7°C at 760 mmHg
Flash Point: 128.9°C
Hazard Symbols: A poison.
Safety: A poison by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 34.14000
LogP: 3.30720
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Chemistry

IUPAC Name: (1S,6R,7R)-1-Methyl-7-(3-oxobutyl)-4-propan-2-ylidenebicyclo[4.1.0]heptan-3-one
Synonyms of Curcumenone (CAS NO.100347-96-4) : Bicyclo(4.1.0)heptan-3-one, 1-methyl-4-(1-methylethylidene)-7-(3-oxobutyl)-, (1S,6R,7R)-
InChI:InChI=1/C15H22O2/c1-9(2)11-7-13-12(6-5-10(3)16)15(13,4)8-14(11)17/h12-13H,5-8H2,1-4H3/t12-,13-,15+/m1/s1
CAS NO:100347-96-4
Molecular Formula:C15H22O2
Molecular Weight :234.334
Molecular Structure :
Index of Refraction: 1.506
Surface Tension: 36.2 dyne/cm
Density: 1.036 g/cm3
Flash Point: 128.9 °C
Enthalpy of Vaporization: 58.75 kJ/mol
Boiling Point: 343.7 °C at 760 mmHg
Vapour Pressure: 6.93E-05 mmHg at 25°C

Toxicity Data With Reference

1.    

orl-mus TDLo:25 mg/kg

     BIPBU*    Biological & pharmaceutical bulletin. 25 (2002),627.

Safety Profile

A poison by ingestion. When Curcumenone (CAS NO.100347-96-4) is heated to decomposition, it emits acrid smoke and irritating vapors.