Analytical Methods:
For occupational chemical analysis use NIOSH: Ketones II (Desorption in 99:1 CS2:methanol) 1301.
C8H16OS
5-methyl-3-heptanone
Conditions | Yield |
---|---|
Ambient temperature; | 100% |
Conditions | Yield |
---|---|
A n/a B 75% | |
In diethyl ether at 0℃; for 4.5h; | A 18% B 75% |
Conditions | Yield |
---|---|
In o-xylene at 144℃; for 24h; | A 14% B 60% |
Conditions | Yield |
---|---|
With platinum Hydrogenation; |
3-oxo-5-methyl-1-heptene
5-methyl-3-heptanone
Conditions | Yield |
---|---|
With platinum Hydrogenation; |
5-methyl-3-heptanol
5-methyl-3-heptanone
Conditions | Yield |
---|---|
With potassium dichromate; sulfuric acid | |
With pyridine; chlorine In chloroform |
Conditions | Yield |
---|---|
With platinum Hydrogenation; |
Conditions | Yield |
---|---|
With aluminum oxide; copper(II) oxide; zinc(II) oxide at 274 - 280℃; under 14710.2 Torr; |
Conditions | Yield |
---|---|
With aluminum oxide; copper oxide-aluminium oxide at 285℃; under 12503.6 Torr; |
Conditions | Yield |
---|---|
With barium(II) oxide durch Reduktion des entstehenden 'Homomesityloxyds' mit Wasserstoff in Gegenwart von Platinoxyd in Alkohol unter Druck; | |
With hydrogen In water at 349.84℃; under 3750.38 Torr; Autoclave; |
iso-butanol
5-methyl-3-heptanone
Conditions | Yield |
---|---|
With copper-zinc-cadmium-chromite at 366℃; under 25742.8 Torr; |
1-acetoxy-2-furfuryl-butane
5-methyl-3-heptanone
Conditions | Yield |
---|---|
With hydrogen; nickel at 240 - 250℃; |
Conditions | Yield |
---|---|
at 27℃; for 22h; (γ-irradiation); |
Conditions | Yield |
---|---|
Hydrogenation; |
methanol
5-methyl-hepta-1,4-dien-3-one
A
3-oxo-5-methyl-1-heptene
B
5-methyl-3-heptanone
C
5-methyl-4-hepten-3-one
Conditions | Yield |
---|---|
Hydrogenation; |
Conditions | Yield |
---|---|
sodium; copper; zinc(II) oxide at 289.85℃; Product distribution; Further Variations:; Catalysts; |
5-Methyl-heptane-3-thione
5-methyl-3-heptanone
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: meta-chloroperoxybenzoic acid / CH2Cl2 / 0 °C 2: 100 percent / Ambient temperature View Scheme |
5-hydroxy-5-methyl-heptan-3-one
5-methyl-3-heptanone
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: oxalic acid / durch Destillation 2: platinum / Hydrogenation View Scheme |
1-methoxy-5-methyl-heptan-3-one
5-methyl-3-heptanone
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: p-toluenesulfonic acid / Bei der Destillation unter vermindertem Druck 2: platinum / Hydrogenation View Scheme |
1-hydroxy-5-methyl-hept-4-en-3-one
5-methyl-3-heptanone
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 2: platinum / Hydrogenation View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: diluted H2SO4; HgSO4; acetone 3: platinum / Hydrogenation View Scheme |
1-methoxy-5-methyl-hept-4-en-3-one
5-methyl-3-heptanone
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: diluted HCl; acetone 3: platinum / Hydrogenation View Scheme | |
Multi-step reaction with 3 steps 1: PtO2; ethanol / Hydrogenation 2: p-toluenesulfonic acid / Bei der Destillation unter vermindertem Druck 3: platinum / Hydrogenation View Scheme |
Conditions | Yield |
---|---|
With copper(I) thiophene-2-carboxylate In diethyl ether; hexane Inert atmosphere; |
(+/-)-2-ethyl-2-(2-methylbutyl)imidazolidin-4-one
5-methyl-3-heptanone
Conditions | Yield |
---|---|
In ethanol; acetonitrile for 1h; pH=7.3; Inert atmosphere; aq. buffer; |
Conditions | Yield |
---|---|
(η5-C4Ph4COHOC4Ph4-η5)(μ-H)(CO)4Ru2 at 100℃; for 3h; | 96% |
5-methyl-3-heptanone
5-methyl-3-heptanol
Conditions | Yield |
---|---|
With formic acid; sodium formate; (η5-C4Ph4COHOC4Ph4-η5)(μ-H)(CO)4Ru2 In water at 100℃; for 15h; | 92% |
5-methyl-3-heptanone
Conditions | Yield |
---|---|
With dihydrogen peroxide In water; acetonitrile at 20℃; for 0.25h; Green chemistry; | 86% |
With aminosulfonic acid; dihydrogen peroxide In water; acetonitrile at 20℃; for 0.366667h; Green chemistry; | 75% |
With dihydrogen peroxide; iodine In acetonitrile at 20℃; for 24h; | 50% |
With dihydrogen peroxide; iodine In acetonitrile at 22℃; for 24h; | 50% |
nitromalondialdehyde sodium salt
5-methyl-3-heptanone
2-sec-Butyl-6-methyl-4-nitro-phenol
Conditions | Yield |
---|---|
With sodium hydroxide In ethanol 1.) r.t., overnight, 2.) reflux, 2 h; | 83% |
N,O-bis-(trimethylsilyl)-acetamide
5-methyl-3-heptanone
B
N-Trimethylsilylacetamide
Conditions | Yield |
---|---|
With sodium In N,N,N,N,N,N-hexamethylphosphoric triamide at 40 - 50℃; | A 70% B n/a |
Conditions | Yield |
---|---|
With potassium hydroxide In diethyl ether Ambient temperature; | 68% |
3,4-butenediol
5-methyl-3-heptanone
2-ethyl-2-(2-methylbutyl)-4-vinyl-[1,3]dioxolane
Conditions | Yield |
---|---|
62% |
5-methyl-3-heptanone
trimethyl-2-(trifluoromethyl)prop-2-en-1-ylsilane
[1-Ethyl-3-methyl-1-(2-trifluoromethyl-allyl)-pentyloxy]-trimethyl-silane
Conditions | Yield |
---|---|
With 4 A molecular sieve; cesium fluoride In N,N-dimethyl-formamide for 5h; Ambient temperature; | 31% |
5-methyl-3-heptanone
Conditions | Yield |
---|---|
With tetrafluoroboric acid; dihydrogen peroxide; methyltrioxorhenium(VII) In diethyl ether; 2,2,2-trifluoroethanol; water at 20℃; for 1h; | 20% |
glycinamide hydrochloride
5-methyl-3-heptanone
(+/-)-2-ethyl-2-(2-methylbutyl)imidazolidin-4-one
Conditions | Yield |
---|---|
With triethylamine In methanol for 18h; Inert atmosphere; Reflux; | 10% |
Methyltriphenylphosphonium bromide
5-methyl-3-heptanone
2-ethyl-4-methyl-hex-1-ene
Conditions | Yield |
---|---|
(i) NaH, DMSO, (ii) /BRN= 506345/; Multistep reaction; |
Conditions | Yield |
---|---|
Multistep reaction; |
5-methyl-3-heptanone
(E)-((3,3,3-trifluoroprop-1-en-1-yl)sulfinyl)benzene
2-Benzenesulfinylmethyl-1,1,1-trifluoro-3,6-dimethyl-octan-4-one
Conditions | Yield |
---|---|
With lithium diisopropyl amide 1.) THF, -78 deg C, 0.5 h; 2.) THF, -78 - 0 deg C, 2 h;; Yield given. Multistep reaction; |
5-methyl-3-heptanone
phenylhydrazine
5-methyl-3-heptanone phenylhydrazone
Conditions | Yield |
---|---|
In benzene Heating; |
5-methyl-3-heptanone
phenylhydrazine
A
2-(2-methylbutyl)-3-methylindole
B
2-ethyl-3-(2-butyl)indole
Conditions | Yield |
---|---|
With mordenite In 2,2,4-trimethylpentane for 5h; Heating; Yield given. Yields of byproduct given. Title compound not separated from byproducts; |
Reported in EPA TSCA Inventory.
OSHA PEL: TWA 25 ppm
ACGIH TLV: TWA 25 ppm
DOT Classification: 3; Label: Flammable Liquid
For occupational chemical analysis use NIOSH: Ketones II (Desorption in 99:1 CS2:methanol) 1301.
1. Introduction of 3-Heptanone, 5-methyl-
3-Heptanone, 5-methyl- is colorless liquid with a pungent odor. The IUPAC NAME of it is 5-Methylheptan-3-one.
2. Properties of 3-Heptanone, 5-methyl-
RTECS: MJ7350000
Molecular Formula: C8H16O
Molecular Weight: 128.21 g/mol
Density: 0.811 g/cm3
Flash Point: 43.9 °C
Boiling Point: 159.9 °C at 760 mmHg
The chemical synonymous of Ethyl amyl ketone (541-85-5) are 2-Methylbutylethylketone ; 3-Heptanone,5-methyl- ; 5-methyl-3-heptanon ; 5-Methylheptan-3-one ; 5-Methylheptan-3-one ; 5-Methylheptanone-(3) ; Ethyl Sec-Amyl Ketone ; Ethylsec-amylketone
3. Structure Descriptors of 3-Heptanone, 5-methyl-
InChI=1S/C8H16O/c1-4-7(3)6-8(9)5-2/h7H,4-6H2,1-3H3
InChIKey: PSBKJPTZCVYXSD-UHFFFAOYSA-
4. Toxicity of 3-Heptanone, 5-methyl-
1. | skn-rbt 500 mg MLD | SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) | ||
2. | orl-rat LD50:3500 mg/kg | SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) | ||
3. | ihl-rat LCLo:3484 ppm/8H | SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) | ||
4. | orl-mus LD50:3800 mg/kg | SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) | ||
5. | ihl-mus LCLo:3484 ppm/4H | SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) | ||
6. | orl-gpg LD50:2500 mg/kg | BCPCA6 Biochemical Pharmacology. 16 (1967),631. |
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