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| CAS No.: | 7492-38-8 |
|---|---|
| Name: | 2-METHYL-4-OCTANONE |
| Article Data: | 14 |
| Molecular Structure: | |
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| Formula: | C9H18O |
| Molecular Weight: | 142.241 |
| Synonyms: | 4-Octanone, 2-methyl-; |
| Density: | 0.815 g/cm3 |
| Melting Point: | -18.52°C (estimate) |
| Boiling Point: | 180.042 °C at 760 mmHg |
| Flash Point: | 57.565 °C |
| Risk Codes: | 52 |
| PSA: | 17.07000 |
| LogP: | 2.79180 |
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- 885590-99-82,3-DIFLUORO-4-IODOBENZALDEHYDE
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 40575-41-5
2-methyloctan-4-ol
- 2-methyloctan-4-one
- 7492-38-8
2-methyloctan-4-one
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | 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% |
- 17577-93-4
2-methyl-oct-5-en-4-one
- 7492-38-8
2-methyloctan-4-one
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With benzene |
| Conditions | Yield |
|---|---|
| With benzene |
| Conditions | Yield |
|---|---|
| (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 | Yield |
|---|---|
| (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 | Yield |
|---|---|
| (i) bis-(2,3-dimethyl-propyl)-borane, THF, (ii) aq. H2O2, aq. NaOH; Multistep reaction; |
- Total:21 Page 1 of 1 1
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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