1-Hexen-3-one,5-methyl-1-phenyl- supplier

Name
ISOBUTYL STYRYL KETONE
EINECS 220-760-9
CAS No. 2892-18-4
Article Data23
CAS DataBase
Density 0.97 g/cm³
Solubility
Melting Point 43 °C
Formula C₁₃H₁₆O
Boiling Point 302.3 °C at 760 mmHg
Molecular Weight 188.269
Flash Point 111.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Phenyl-5-methyl-1-hexen-3-one;5-Methyl-1-phenyl-1-hexen-3-one;NSC 11849;NSC 31025;Styryl isobutyl ketone;
PSA 17.07000
LogP 3.31500

1-Hexen-3-one,5-methyl-1-phenyl- Specification

The 1-Hexen-3-one,5-methyl-1-phenyl-, with the CAS registry number 2892-18-4, is also known as Styryl isobutyl ketone. Its EINECS number is 220-760-9. This chemical's molecular formula is C₁₃H₁₆O and molecular weight is 188.27. What's more, its systematic name is 5-Methyl-1-phenylhex-1-en-3-one. It should be sealed and stored in a cool and dry place.

Physical properties of 1-Hexen-3-one,5-methyl-1-phenyl- are: (1)ACD/LogP: 3.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.58; (4)ACD/LogD (pH 7.4): 3.58; (5)ACD/BCF (pH 5.5): 311.16; (6)ACD/BCF (pH 7.4): 311.16; (7)ACD/KOC (pH 5.5): 2118.77; (8)ACD/KOC (pH 7.4): 2118.77; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 60.66 cm³; (15)Molar Volume: 193.9 cm³; (16)Polarizability: 24.04×10^-24cm³; (17)Surface Tension: 35 dyne/cm; (18)Density: 0.97 g/cm³; (19)Flash Point: 111.2 °C; (20)Enthalpy of Vaporization: 54.25 kJ/mol; (21)Boiling Point: 302.3 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

Uses of 1-Hexen-3-one,5-methyl-1-phenyl-: it can be used to produce 5-methyl-1-phenyl-hexan-3-one at the temperature of 100 °C. It will need reagent cyclohexene with the reaction time of 3 hours. This reaction will also need catalyst Pd/SiO₂-AlPO₄.The yield is about 36.2%.

1-Hexen-3-one,5-methyl-1-phenyl- can be used to produce 5-methyl-1-phenyl-hexan-3-one at the temperature of 100 °C

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C=Cc1ccccc1)CC(C)C
(2)InChI: InChI=1S/C13H16O/c1-11(2)10-13(14)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
(3)InChIKey: LLVCDRTZBYXKII-UHFFFAOYSA-N

Product Name

ISOBUTYL STYRYL KETONE

1-Hexen-3-one,5-methyl-1-phenyl- Specification

Related Products

Hot Products