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2-Methyloctan-4-one

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Name

2-Methyloctan-4-one

EINECS N/A
CAS No. 7492-38-8 Density 0.815 g/cm3
PSA 17.07000 LogP 2.79180
Solubility N/A Melting Point -18.52°C (estimate)
Formula C9H18O Boiling Point 180.042 °C at 760 mmHg
Molecular Weight 142.241 Flash Point 57.565 °C
Transport Information N/A Appearance N/A
Safety Risk Codes 52
Molecular Structure Molecular Structure of 7492-38-8 (2-METHYL-4-OCTANONE) Hazard Symbols N/A
Synonyms

4-Octanone, 2-methyl-;

Article Data 14

2-Methyloctan-4-one Synthetic route

40575-41-5

2-methyloctan-4-ol

2-methyloctan-4-one
7492-38-8

2-methyloctan-4-one

Conditions
ConditionsYield
With jones' reagent Oxidation;86%
With chromium(VI) oxide; acetic acid
2-methyloctan-4-ol
40575-41-5

2-methyloctan-4-ol

7492-38-8

2-methyloctan-4-one

Conditions
ConditionsYield
With jones' reagent Oxidation;86%
With chromium(VI) oxide; acetic acid
79-37-8

oxalyl dichloride

40575-41-5

2-methyloctan-4-ol

67-68-5

dimethyl sulfoxide

7492-38-8

2-methyloctan-4-one

Conditions
ConditionsYield
With triethylamine In water; 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran79%
122-56-5

tributyl borane

108-12-3

isopentanoyl chloride

7492-38-8

2-methyloctan-4-one

Conditions
ConditionsYield
With potassium acetate; tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran at 65℃; for 3h; Substitution;56%
17577-93-4

2-methyl-oct-5-en-4-one

7492-38-8

2-methyloctan-4-one

Conditions
ConditionsYield
With nickel Hydrogenation;
di-n-butylcadmium
3431-67-2

di-n-butylcadmium

108-12-3

isopentanoyl chloride

7492-38-8

2-methyloctan-4-one

Conditions
ConditionsYield
With benzene
3431-67-2

di-n-butylcadmium

108-12-3

isopentanoyl chloride

7492-38-8

2-methyloctan-4-one

Conditions
ConditionsYield
With benzene
110-62-3

pentanal

926-62-5

isobutylmagnesium bromide

7492-38-8

2-methyloctan-4-one

Conditions
ConditionsYield
(i) ether, (ii) Na2Cr2O7, H2SO4; Multistep reaction;
110-62-3

pentanal

isobutylmagnesium bromide
926-62-5

isobutylmagnesium bromide

7492-38-8

2-methyloctan-4-one

Conditions
ConditionsYield
(i) ether, (ii) Na2Cr2O7, H2SO4; Multistep reaction;
2-methyl-3-octyne
55402-15-8

2-methyl-3-octyne

7492-38-8

2-methyloctan-4-one

Conditions
ConditionsYield
(i) bis-(2,3-dimethyl-propyl)-borane, THF, (ii) aq. H2O2, aq. NaOH; Multistep reaction;

2-Methyloctan-4-one Specification

The 2-Methyloctan-4-one, with the CAS registry number 7492-38-8, is also known as 4-Octanone, 2-methyl-. This chemical's molecular formula is C9H18O and molecular weight is 142.24. What's more, its systematic name is called 2-Methyl-4-octanone. It should be stored in a cool, dry and sealed place.

Physical properties about 2-Methyloctan-4-one are: (1)ACD/LogP: 2.859; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.86; (4)ACD/LogD (pH 7.4): 2.86; (5)ACD/BCF (pH 5.5): 87.73; (6)ACD/BCF (pH 7.4): 87.73; (7)ACD/KOC (pH 5.5): 856.07; (8)ACD/KOC (pH 7.4): 856.07; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.415; (14)Molar Refractivity: 43.733 cm3; (15)Molar Volume: 174.593 cm3; (16)Polarizability: 17.337×10-24cm3; (17)Surface Tension: 25.585 dyne/cm; (18)Density: 0.815 g/cm3; (19)Flash Point: 57.565 °C; (20)Enthalpy of Vaporization: 41.632 kJ/mol; (21)Boiling Point: 180.042 °C at 760 mmHg; (22)Vapour Pressure: 0.913 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(CCCC)CC(C)C
(2) InChI: InChI=1S/C9H18O/c1-4-5-6-9(10)7-8(2)3/h8H,4-7H2,1-3H3
(3) InChIKey: ICSKJDZASFIJQK-UHFFFAOYSA-N

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