2-Methyloctan-4-one supplier

Name
2-METHYL-4-OCTANONE
EINECS
CAS No. 7492-38-8
Article Data14
CAS DataBase
Density 0.815 g/cm³
Solubility
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
Appearance
Safety
Risk Codes 52
Molecular Structure
Hazard Symbols
Synonyms 4-Octanone, 2-methyl-;
PSA 17.07000
LogP 2.79180

Synthetic route

: 40575-41-5
2-methyloctan-4-ol

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

Conditions

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

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

Conditions	Yield
With triethylamine In water; 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran	79%

...Expand

: 122-56-5
tributyl borane

: 108-12-3
isopentanoyl chloride

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

Conditions

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

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

Conditions	Yield
With benzene

: 3431-67-2
di-n-butylcadmium

: 108-12-3
isopentanoyl chloride

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

Conditions

Conditions	Yield
With benzene

: 110-62-3
pentanal

: 926-62-5
isobutylmagnesium bromide

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

Conditions

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

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

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

: 55402-15-8
2-methyl-3-octyne

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

Conditions

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

: 141-79-7
4-methyl-pent-3-en-2-one

: 123-38-6
propionaldehyde

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

Conditions

Conditions	Yield
(i) MgO, (heating), (ii) H2, Raney-Ni, EtOH; Multistep reaction;

: 1-(trans-2-methyl-cyclopropyl)-pentan-1-one

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

Conditions

Conditions	Yield
(i) Li, liq. NH3, (ii) aq. Na2Cr2O7, aq. H2SO4; Multistep reaction;

1-(trans-2-methyl-cyclopropyl)-pentan-1-one: 1-(trans-2-methyl-cyclopropyl)-pentan-1-one

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

Conditions

Conditions	Yield
(i) Li, liq. NH3, (ii) aq. Na2Cr2O7, aq. H2SO4; Multistep reaction;

: 141-79-7
4-methyl-pent-3-en-2-one

: 107-02-8
acrolein

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

Conditions

Conditions	Yield
(i) MgO, (heating), (ii) TsOH, (iii) H2, Raney-Ni, EtOH; Multistep reaction;

(1-Benzenesulfinyl-1-isobutyl-pentyl)-trimethyl-silane: (1-Benzenesulfinyl-1-isobutyl-pentyl)-trimethyl-silane

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

Conditions

Conditions	Yield
With mercury(II) diacetate 1.) THF, reflux, 4 h, 2.) THF, water, 17 h, room temperature; Yield given. Multistep reaction;

: (1-Benzenesulfinyl-1-isobutyl-pentyl)-trimethyl-silane

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

Conditions

Conditions	Yield
With mercury(II) diacetate 1.) THF, reflux, 4 h, 2.) THF, water, 17 h, room temperature; Yield given. Multistep reaction;

: 590-86-3
isovaleraldehyde

hydro chloride of 1-<α-amino-isopentyl>-naphthol-(2): hydro chloride of 1-<α-amino-isopentyl>-naphthol-(2)

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

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 87 percent / diethyl ether / 20 °C 2: 86 percent / Jones' reagent View Scheme

(1-Isobutyl-1-phenylsulfanyl-pentyl)-trimethyl-silane: 105494-91-5
(1-Isobutyl-1-phenylsulfanyl-pentyl)-trimethyl-silane

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

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 85percent m-chloroperbenzoic acid / CH2Cl2 / 1.5 h / -23 °C 2: 2.) 1 M mercury(II) acetate / 1.) THF, reflux, 4 h, 2.) THF, water, 17 h, room temperature View Scheme

: 105494-91-5
(1-Isobutyl-1-phenylsulfanyl-pentyl)-trimethyl-silane

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

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 85percent m-chloroperbenzoic acid / CH2Cl2 / 1.5 h / -23 °C 2: 2.) 1 M mercury(II) acetate / 1.) THF, reflux, 4 h, 2.) THF, water, 17 h, room temperature View Scheme

(E)-2-octen-4-one: 22286-99-3
(E)-2-octen-4-one

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

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: (i) NaH, DMSO, (ii) /BRN= 1700900/ 2: (i) Li, liq. NH3, (ii) aq. Na2Cr2O7, aq. H2SO4 View Scheme

: 22286-99-3
(E)-2-octen-4-one

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

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: (i) NaH, DMSO, (ii) /BRN= 1700900/ 2: (i) Li, liq. NH3, (ii) aq. Na2Cr2O7, aq. H2SO4 View Scheme

(C4H9)3SnOCH(C4H9)C3H4CH3: (C4H9)3SnOCH(C4H9)C3H4CH3

A: 108-83-8
diisobutyl ketone

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

C tributyltin butoxide: 3882-70-0
tributyltin butoxide

: Isobutyl-(2-methylcyclopropyl)-keton

Conditions

Conditions	Yield
With t-C4H9OOC4H9-t at 130-140°C; proportion of c-C3H4(CH3)COCH3, i-C4H9COC4H9-i, n-C4H9COC4H9-i = 86:4:10;
With t-C4H9OOC4H9-t at 130-140°C; proportion of c-C3H4(CH3)COCH3, i-C4H9COC4H9-i, n-C4H9COC4H9-i = 86:4:10;

...Expand

: (C4H9)3SnOCH(C4H9)C3H4CH3

A diisobutyl ketone: 108-83-8
diisobutyl ketone

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

C: 3882-70-0
tributyltin butoxide

Isobutyl-(2-methylcyclopropyl)-keton: Isobutyl-(2-methylcyclopropyl)-keton

Conditions

Conditions	Yield
With t-C4H9OOC4H9-t at 130-140°C; proportion of c-C3H4(CH3)COCH3, i-C4H9COC4H9-i, n-C4H9COC4H9-i = 86:4:10;
With t-C4H9OOC4H9-t at 130-140°C; proportion of c-C3H4(CH3)COCH3, i-C4H9COC4H9-i, n-C4H9COC4H9-i = 86:4:10;

...Expand

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

C9H17IO: C9H17IO

Conditions

Conditions	Yield
With sulfuric acid; iodine; silica gel; sodium nitrite In acetonitrile at 22℃; for 2h;	85%

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

: C9H17IO

Conditions

Conditions	Yield
With sulfuric acid; iodine; silica gel; sodium nitrite In acetonitrile at 22℃; for 2h;	85%

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

A: (R)-(-)-2-methyl-4-octanol

B (4S)-2-methyloctan-4-ol: (4S)-2-methyloctan-4-ol

Conditions

Conditions	Yield
With methanesulfonic acid; (R,R)-dihydroborate In hexane at 0℃; for 24h; Title compound not separated from byproducts;	A 72% B n/a

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

A (R)-(-)-2-methyl-4-octanol: (R)-(-)-2-methyl-4-octanol

B: (4S)-2-methyloctan-4-ol

Conditions

Conditions	Yield
With methanesulfonic acid; (R,R)-dihydroborate In hexane at 0℃; for 24h; Title compound not separated from byproducts;	A 72% B n/a

Å molecular sieves: Å molecular sieves

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

: 100-46-9
benzylamine

N-benzyl-2-methyl-4-aminooctane: 142121-46-8
N-benzyl-2-methyl-4-aminooctane

Conditions

Conditions	Yield
With sodium cyanoborohydride; triethylamine In methanol; hexane; ethyl acetate	46%

...Expand

Å molecular sieves: Å molecular sieves

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

: 100-46-9
benzylamine

: 142121-46-8
N-benzyl-2-methyl-4-aminooctane

Conditions

Conditions	Yield
With sodium cyanoborohydride; triethylamine In methanol; hexane; ethyl acetate	46%

...Expand

Å molecular sieves: Å molecular sieves

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

2-methyl-4-aminooctane: 33788-04-4
2-methyl-4-aminooctane

Conditions

Conditions	Yield
With ammonium acetate; sodium cyanoborohydride In methanol; chloroform	25%

Å molecular sieves: Å molecular sieves

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

: 33788-04-4
2-methyl-4-aminooctane

Conditions

Conditions	Yield
With ammonium acetate; sodium cyanoborohydride In methanol; chloroform	25%

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

: 40575-41-5
2-methyloctan-4-ol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride; diethyl ether
With nickel Hydrogenation;

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

: 91-56-5
indole-2,3-dione

2-isobutyl-3-propyl-quinoline-4-carboxylic acid: 2-isobutyl-3-propyl-quinoline-4-carboxylic acid

Conditions

Conditions	Yield
With potassium hydroxide

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

: 91-56-5
indole-2,3-dione

: 2-isobutyl-3-propyl-quinoline-4-carboxylic acid

Conditions

Conditions	Yield
With potassium hydroxide

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

: [2-(1-isobutyl-pentyloxy)-ethyl]-dimethyl-amine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: lithium alanate; diethyl ether 2: sodium amide; benzene / 100 °C View Scheme

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

: 2-(aminooxy)-2-methylpropanoic acid hydrochloride

A: (E)-2-methyl-2-(((2-methyloctan-4-ylidene)amino)oxy)propanoic acid

B (Z)-2-methyl-2-(((2-methyloctan-4-ylidene)amino)oxy)propanoic acid: (Z)-2-methyl-2-(((2-methyloctan-4-ylidene)amino)oxy)propanoic acid

Conditions

Conditions	Yield
With pyridine at 100℃; for 2h;	A n/a B n/a

...Expand

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

2-(aminooxy)-2-methylpropanoic acid hydrochloride: 2-(aminooxy)-2-methylpropanoic acid hydrochloride

A (E)-2-methyl-2-(((2-methyloctan-4-ylidene)amino)oxy)propanoic acid: (E)-2-methyl-2-(((2-methyloctan-4-ylidene)amino)oxy)propanoic acid

B: (Z)-2-methyl-2-(((2-methyloctan-4-ylidene)amino)oxy)propanoic acid

Conditions

Conditions	Yield
With pyridine at 100℃; for 2h;	A n/a B n/a

...Expand

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

Product Name

2-METHYL-4-OCTANONE

Synthetic route

2-Methyloctan-4-one Specification

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