4-Methylpentan-2-one oxime supplier

Name
4-METHYL-2-PENTANONE OXIME
EINECS 203-298-2
CAS No. 105-44-2
Article Data14
CAS DataBase
Density 0.899 g/cm³
Solubility
Melting Point 63 °C
Formula C₆H₁₃NO
Boiling Point 179.76 °C at 760 mmHg
Molecular Weight 115.175
Flash Point 88.096 °C
Transport Information
Appearance Colorless transparent liquid
Safety 26-36
Risk Codes 20/21/22-36
Molecular Structure
Hazard Symbols Xn
Synonyms 2-Methyl-4-pentanoneoxime;4-Methyl-2-pentanone oxime;Isobutyl methyl ketone oxime;Methylisobutyl ketone oxime;
PSA 32.59000
LogP 1.88260

Synthetic route

: 108-10-1
4-methyl-2-pentanone

: 105-44-2
4-methyl-pentan-2-one oxime

Conditions

Conditions	Yield
With hydroxylamine hydrochloride; sodium hydroxide In water at 0℃;	96%
With hydroxylamine hydrochloride; sodium acetate In ethanol for 0.166667h; Condensation; Irradiation;	92%
With hydroxylamine hydrochloride; sodium hydroxide In ethanol; water at 60℃; for 3h;	68%
With hydroxylamine hydrochloride; sodium acetate In ethanol; water at 100℃;

: 108-10-1
4-methyl-2-pentanone

NH2OH-HCl: NH2OH-HCl

: 105-44-2
4-methyl-pentan-2-one oxime

Conditions

Conditions	Yield
Heating;	82%

: 108-10-1
4-methyl-2-pentanone

A: 105-44-2
4-methyl-pentan-2-one oxime

B: 1540-94-9
N-isobutylacetamide

Conditions

Conditions	Yield
With acetylhydroxamic acid; sulfuric acid In acetonitrile for 11.5h; Reflux;	A 8% B 74%

: 107-83-5
2-Methylpentane

A: 56134-20-4
2-methyl-pentan-3-one oxime

B: 105-44-2
4-methyl-pentan-2-one oxime

Conditions

Conditions	Yield
With hydrogenchloride; nitrosylchloride at 20℃; for 9h; Irradiation;

: 108-10-1
4-methyl-2-pentanone

hydroxylamine-O-sulfonic acid: hydroxylamine-O-sulfonic acid

: 105-44-2
4-methyl-pentan-2-one oxime

: 105-44-2
4-methyl-pentan-2-one oxime

: 108-10-1
4-methyl-2-pentanone

Conditions

Conditions	Yield
With dihydrogen peroxide; tripropylammonium fluorochromate (VI) In acetone at 0 - 10℃; for 0.333333h;	98%
With KMnO4/alumina In diethyl ether at 0℃; for 1h;	97%
With potassium permanganate In water; acetonitrile at 25℃; for 1h;	96%

: 105-44-2
4-methyl-pentan-2-one oxime

: 66553-37-5
2-nitro-4-methylpentane

Conditions

Conditions	Yield
With dihydrogen peroxide; potassium hydroxide In tert-butyl alcohol at 72℃; under 2250.23 Torr;	96.1%

: 105-44-2
4-methyl-pentan-2-one oxime

: 2899-02-7
N,N'-dichlorobis(2,4,6-trichlorodiphenyl)urea

A: 690-60-8
2-chloro-4-methyl-2-nitroso-pentane

B: 20632-35-3
bis(2,4,6-trichlorodiphenyl)urea

Conditions

Conditions	Yield
In acetonitrile at 20℃; for 0.333333h;	A 95% B n/a

...Expand

: 88-88-0
2,4,6-trinitrochlorobenzene

: 105-44-2
4-methyl-pentan-2-one oxime

: 80606-06-0
4-Methyl-2-pentanonoxim-pikrat

Conditions

Conditions	Yield
With pyridine In acetone at 0℃; for 5h;	85%

: 105-44-2
4-methyl-pentan-2-one oxime

: 1540-94-9
N-isobutylacetamide

Conditions

Conditions	Yield
With iron(III) chloride at 90℃; for 2h; Beckmann rearrangement of ketoximes;	85%

: 105-44-2
4-methyl-pentan-2-one oxime

: 690-60-8
2-chloro-4-methyl-2-nitroso-pentane

Conditions

Conditions	Yield
With chloroethane; chlorine at -40℃; for 0.42h;	85%
With chloroamine-T In ethanol for 2h; Heating;

: 105-44-2
4-methyl-pentan-2-one oxime

: 94-36-0
dibenzoyl peroxide

: 1365655-57-7
isobutylmethylketone oxime benzoyl ester

Conditions

Conditions	Yield
In dichloromethane for 3h; Reflux;	78%

: 105-44-2
4-methyl-pentan-2-one oxime

: 1067-29-4
bis(tri-n-propylstannyl)oxide

: 55322-78-6
(C3H7)3SnONC(CH3)C4H9

Conditions

Conditions	Yield
In benzene byproducts: H2O; 1:2 molar ratio of (C3H7)3SnOSn(C3H7)3 and hydroxylamine derivate, in dry benzene; removing of water formed by azeotropic distn.; reaction controlled by IR spectra; removing of solvent; vac. distn.;	76%
In benzene byproducts: H2O; 1:2 molar ratio of (C3H7)3SnOSn(C3H7)3 and hydroxylamine derivate, in dry benzene; removing of water formed by azeotropic distn.; reaction controlled by IR spectra; removing of solvent; vac. distn.;	76%

: 105-44-2
4-methyl-pentan-2-one oxime

: 223650-44-0
N-(4-methylpentan-2-yl)hydroxylamine

Conditions

Conditions	Yield
With hydrogenchloride; sodium cyanoborohydride In 1,4-dioxane; methanol at 20℃; for 3h; Inert atmosphere;	62%
With hydrogenchloride; platinum Hydrogenation;

: 105-44-2
4-methyl-pentan-2-one oxime

: {3-[3-(2-methylpropyl)isoxazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl}(morpholin-4-yl)methanone

Conditions

Conditions	Yield
Stage #1: 4-methyl-pentan-2-one oxime With n-butyllithium In tetrahydrofuran; hexane at 0℃; Stage #2: 4-methyl-pentan-2-one oxime In tetrahydrofuran; hexane at 20℃;	42%

: 105-44-2
4-methyl-pentan-2-one oxime

: 107-06-2
1,2-dichloro-ethane

A: 80278-01-9
3-isopropyl-2-methyl-pyrrole

B: 64222-36-2
3-isopropyl-2-methyl-1-vinyl-pyrrole

Conditions

Conditions	Yield
With potassium hydroxide In dimethyl sulfoxide at 120 - 135℃; for 2.5h; Title compound not separated from byproducts;	A 36% B 11%
at 120 - 135℃; for 2.5h; Product distribution; var. time, var. temperatures;	A 36% B 11%

...Expand

: 105-44-2
4-methyl-pentan-2-one oxime

: 139952-06-0
Hexacyanocyclopropane

: 1,6-Diamino-3,4-bis-[1,3-dimethyl-but-(Z)-ylideneaminooxy]-3,4-bis-[1,3-dimethyl-but-(E)-ylideneaminooxy]-3H,4H-2,5-diaza-cyclopropadicyclopentene-3a,3b-dicarbonitrile

Conditions

Conditions	Yield
With ethanol; sodium at 35 - 40℃;	25%

: 105-44-2
4-methyl-pentan-2-one oxime

: 3-isopropyl-4-methyl-[1,2,5]thiadiazole

Conditions

Conditions	Yield
With S4N4*SbCl5 In benzene at 60℃; for 2h; Cyclization; Aromatization;	3%

: 105-44-2
4-methyl-pentan-2-one oxime

: 15761-50-9, 34017-11-3, 54548-48-0, 108-09-8
2-amino-4-methylpentane

Conditions

Conditions	Yield
With methanol; nickel at 85℃; Hydrogenation;
With lithium aluminium tetrahydride
With lithium aluminium tetrahydride In tetrahydrofuran
With ethanol; sodium; toluene
With lithium aluminium tetrahydride; diethyl ether

: 105-44-2
4-methyl-pentan-2-one oxime

: 646-07-1
4-Methylpentanoic acid

Conditions

Conditions	Yield
With sulfur at 190 - 200℃; und Kochen des Reaktionsprodukts mit 50prozentiger H2SO4;

: 75-44-5
phosgene

: 105-44-2
4-methyl-pentan-2-one oxime

: 17686-57-6
2-Chlorcarbonyloximino-4-methyl-pentan

: 115-21-9
ethyltrichlorosilane

: 105-44-2
4-methyl-pentan-2-one oxime

: 58190-59-3
C20H41N3O3Si

Conditions

Conditions	Yield
With triethylamine In benzene

: 105-44-2
4-methyl-pentan-2-one oxime

: 993-43-1
ethylphosphonothioic dichloride

: 2581-34-2
3-methyl-4-nitrophenol

: 34694-02-5
C15H23N2O4PS

Conditions

Conditions	Yield
(i) KOtBu, THF, (ii) /BRN= 1743462/, (iii) /BRN= 1868105/; Multistep reaction;
With sodium hydroxide In tetrahydrofuran

...Expand

: 105-44-2
4-methyl-pentan-2-one oxime

: 777-08-2
2-(2,4,5-trichlorophenoxy)acetyl chloride

: 53442-64-1
C14H16Cl3NO3

: 105-44-2
4-methyl-pentan-2-one oxime

: 58048-37-6
2-(2,4-dichloro-phenoxy)-propionyl chloride

: 53443-07-5
C15H19Cl2NO3

: 105-44-2
4-methyl-pentan-2-one oxime

: 4878-28-8
(±)-2-(4-chloro-2-methylphenoxy)propionyl chloride

: 53442-94-7
C16H22ClNO3

: 105-44-2
4-methyl-pentan-2-one oxime

: 546-68-9
titanium(IV)isopropoxide

: 4-methyl-pentan-2-one oxime; bis-(propan-2-olato-O)-titanium(2+) salt (2:1)

Conditions

Conditions	Yield
In benzene

: 105-44-2
4-methyl-pentan-2-one oxime

: 546-68-9
titanium(IV)isopropoxide

: 4-methyl-pentan-2-one oxime; (propan-2-olato-O)-titanium(3+) salt (3:1)

Conditions

Conditions	Yield
In benzene

: 105-44-2
4-methyl-pentan-2-one oxime

: 546-68-9
titanium(IV)isopropoxide

: 4-methyl-pentan-2-one oxime; tris-(propan-2-olato-O)-titanium(1+) salt (1:1)

Conditions

Conditions	Yield
In benzene

: 105-44-2
4-methyl-pentan-2-one oxime

: 53487-69-7
4-methyl-pentan-2-one oxime; titanium(4+) salt (4:1)

Conditions

Conditions	Yield
With titanium(IV) isopropylate In benzene

: 105-44-2
4-methyl-pentan-2-one oxime

: 993-43-1
ethylphosphonothioic dichloride

: 767-00-0
4-cyanophenol

: 34694-04-7
C15H21N2O2PS

Conditions

Conditions	Yield
(i) KOtBu, THF, (ii) /BRN= 1743462/, (iii) /BRN= 386130/; Multistep reaction;
With sodium hydroxide In tetrahydrofuran

...Expand

4-Methylpentan-2-one oxime Chemical Properties

IUPAC: N-(4-methylpentan-2-ylidene)hydroxylamine
Methyl isobutyl ketoxime (CAS NO.105-44-2) is also called for 2-Methyl-4-pentanone oxime ; 4-01-00-03307 (Beilstein Handbook Reference) ; 4-Methyl-2-pentanone oxime ; BRN 1741644 ; EINECS 203-298-2 ; Methyl isobutyl oxime ; NSC 1070 ; USAF AM-4 ; 2-Pentanone, 4-methyl-, oxime ; 4-Methylpentan-2-one oxime and so on.
Molecular Formula: C₆H₁₃NO
Molecular Weight: 115.17
EINECS: 203-298-2
LogP: ACD/LogP: 1.53
XLogP: 1.80
ACD/LogD (pH 5.5): 1.53
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 5.5): 8.57
ACD/BCF (pH 7.4): 8.57
ACD/KOC (pH 5.5): 161.95
ACD/KOC (pH 7.4): 161.94
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 3
Index of Refraction: 1.436
Molar Refractivity: 33.54 cm³
Molar Volume: 128.1 cm³
Surface Tension: 25.8 dyne/cm
Density: 0.89 g/cm³
Flash Point: 88.1 °C
Enthalpy of Vaporization: 45.87 kJ/mol
Boiling Point: 179.8°C at 760 mmHg
Vapour Pressure: 0.434 mmHg at 25°C
The molecular structure of Methyl isobutyl ketoxime (CAS NO.105-44-2):

4-Methylpentan-2-one oxime Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	200mg/kg (200mg/kg)		National Technical Information Service. Vol. AD277-689,
mouse	LD50	oral	> 2gm/kg (2000mg/kg)		Medicina Experimentalis. Vol. 11, Pg. 137, 1964.

4-Methylpentan-2-one oxime Consensus Reports

Reported in EPA TSCA Inventory.

4-Methylpentan-2-one oxime Safety Profile

Poison by intraperitoneal route. Low toxicity by ingestion. When heated to decomposition it emits toxic fumes of NO_x.

Hazard Codes: Xn
Risk Statements: 20/21/22-36
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed
R36: Irritating to the eyes
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36: Wear suitable protective clothing
RTECS: SA9450000

4-Methylpentan-2-one oxime Specification

Treatment of Methyl isobutyl ketoxime (CAS NO.105-44-2) in Wastewater, see as follows :
Total removal:                  4.38 percent
Total biodegradation:        0.10 percent
Total sludge adsorption:    3.29 percent
Total to Air:                      0.99 percent
(using 10000 hr Bio P,A,S)

Product Name

4-METHYL-2-PENTANONE OXIME

Synthetic route

4-Methylpentan-2-one oxime Chemical Properties

4-Methylpentan-2-one oxime Toxicity Data With Reference

4-Methylpentan-2-one oxime Consensus Reports

4-Methylpentan-2-one oxime Safety Profile

4-Methylpentan-2-one oxime Specification

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