CAS No.2550-11-0,2,5-DIMETHYL-2-OCTEN-6-ONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2550-11-0
Name:	2,5-DIMETHYL-2-OCTEN-6-ONE
Article Data:	13

Formula:	C₁₀H₁₈O
Molecular Weight:	154.252
Synonyms:	4,7-Dimethyl-6-octen-3-one;
EINECS:	219-845-3
Density:	0.835 g/cm³
Boiling Point:	210.3 °C at 760 mmHg
Flash Point:	69.4 °C
Solubility:	307mg/L at 20℃
PSA:	17.07000
LogP:	2.95790

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Specification

The 6-Octen-3-one,4,7-dimethyl-, with the CAS registry number 2550-11-0, is also known as 4,7-Dimethyl-6-Octen-3-one. This chemical's molecular formula is C₁₀H₁₈O and molecular weight is 154.25. Its EINECS registry number is 219-845-3. What's more, its IUPAC name is 4,7-Dimethyloct-6-en-3-one.

Physical properties about this chemical are: (1)ACD/LogP: 2.97; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.97; (4)ACD/LogD (pH 7.4): 2.97; (5)ACD/BCF (pH 5.5): 107.04; (6)ACD/BCF (pH 7.4): 107.04; (7)ACD/KOC (pH 5.5): 987.09; (8)ACD/KOC (pH 7.4): 987.09; (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: 1.436; (14)Molar Refractivity: 48.26 cm³; (15)Molar Volume: 184.5 cm³; (16)Polarizability: 19.13×10^-24cm³; (17)Surface Tension: 25.7 dyne/cm; (18)Density: 0.835 g/cm³; (19)Flash Point: 69.4 °C; (20)Enthalpy of Vaporization: 44.66 kJ/mol; (21)Boiling Point: 210.3 °C at 760 mmHg; (22)Vapour Pressure: 0.194 mmHg at 25 °C.

Preparation of 6-Octen-3-one,4,7-dimethyl: this chemical can be prepared by 1-Acetoxy-3-methyl-but-2-ene and ((E)-1-Ethyl-propenyloxy)-trimethyl-silane. This reaction needs reagent ZnI₂ and solvent CH₂Cl₂ at temperature of ambient temperature. The yield is 74 %.

Preparation of 6-Octen-3-one,4,7-dimethyl: this chemical can be prepared by 1-Acetoxy-3-methyl-but-2-ene and ((E)-1-Ethyl-propenyloxy)-trimethyl-silane.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(CC)C(C/C=C(/C)C)C
(2) InChI: InChI=1/C10H18O/c1-5-10(11)9(4)7-6-8(2)3/h6,9H,5,7H2,1-4H3
(3) InChIKey: WKQWDIFHKYWRTA-UHFFFAOYAS