Basic Information | Post buying leads | Suppliers | Cas Database |
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 | Hazard Symbols | N/A | |
Synonyms |
4-Octanone, 2-methyl-; |
Article Data | 14 |
2-methyloctan-4-ol
2-methyloctan-4-one
Conditions | Yield |
---|---|
With jones' reagent Oxidation; | 86% |
With chromium(VI) oxide; acetic acid |
2-methyloctan-4-ol
2-methyloctan-4-one
Conditions | Yield |
---|---|
With jones' reagent Oxidation; | 86% |
With chromium(VI) oxide; acetic acid |
oxalyl dichloride
2-methyloctan-4-ol
dimethyl sulfoxide
2-methyloctan-4-one
Conditions | Yield |
---|---|
With triethylamine In water; 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran | 79% |
Conditions | Yield |
---|---|
With potassium acetate; tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran at 65℃; for 3h; Substitution; | 56% |
2-methyl-oct-5-en-4-one
2-methyloctan-4-one
Conditions | Yield |
---|---|
With nickel Hydrogenation; |
di-n-butylcadmium
isopentanoyl chloride
2-methyloctan-4-one
Conditions | Yield |
---|---|
With benzene |
Conditions | Yield |
---|---|
With benzene |
Conditions | Yield |
---|---|
(i) ether, (ii) Na2Cr2O7, H2SO4; Multistep reaction; |
pentanal
isobutylmagnesium bromide
2-methyloctan-4-one
Conditions | Yield |
---|---|
(i) ether, (ii) Na2Cr2O7, H2SO4; Multistep reaction; |
2-methyl-3-octyne
2-methyloctan-4-one
Conditions | Yield |
---|---|
(i) bis-(2,3-dimethyl-propyl)-borane, THF, (ii) aq. H2O2, aq. NaOH; Multistep reaction; |
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