Cas no 928-68-7 (6-Methyl-2-heptanone)

6-Methyl-2-heptanone structure
6-Methyl-2-heptanone structure
Product Name:6-Methyl-2-heptanone
CAS No:928-68-7
MF:C8H16O
MW:128.212042808533
MDL:MFCD00026527
CID:810571
PubChem ID:87572710
Update Time:2024-03-06

6-Methyl-2-heptanone Chemical and Physical Properties

Names and Identifiers

    • 6-Methylheptan-2-one
    • Methyl 4-Methylpentyl Ketone
    • 2-Heptanone, 6-methyl-
    • 6-Methyl-2-heptanone
    • Isooctan-2-one
    • Methyl isohexyl ketone
    • NSC 39665
    • 6-Methyl-2-heptanone (ACI)
    • 2-Isooctanone
    • 2-Methyl-6-heptanone
    • 6-Methylhept-2-one
    • MDL: MFCD00026527
    • Inchi: 1S/C8H16O/c1-7(2)5-4-6-8(3)9/h7H,4-6H2,1-3H3
    • InChI Key: DPLGXGDPPMLJHN-UHFFFAOYSA-N
    • SMILES: O=C(CCCC(C)C)C

Computed Properties

  • Exact Mass: 128.12000
  • Monoisotopic Mass: 128.120115130 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 4
  • Complexity: 84.6
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 128.21
  • Topological Polar Surface Area: 17.1?2
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: nothing

Experimental Properties

  • Color/Form: colorless liquid
  • Density: 0.8203 g/cm3 (20 oC)
  • Melting Point: -32.24°C (estimate)
  • Boiling Point: 171°C
  • Flash Point: 44.6±7.5 oC,
  • Refractive Index: 1.4171 (589.3 nm 20 oC)
  • Solubility: Slightly soluble (2.7 g/l) (25 o C),
  • PSA: 17.07000
  • LogP: 2.40170
  • Solubility: Soluble in ethanol, ether, acetone, benzene.

6-Methyl-2-heptanone Security Information

6-Methyl-2-heptanone Customs Data

  • HS CODE:2914190090
  • Customs Data:

    China Customs Code:

    2914190090

    Overview:

    2914190090 Other acyclic ketones without other oxygen-containing groups.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acetone declared packaging

    Summary:

    2914190090 other acyclic ketones without other oxygen function.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%

6-Methyl-2-heptanone Pricemore >>

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6-Methyl-2-heptanone Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol ;  2 h, 1 MPa, 40 °C
Reference
Application of single atom metal loaded catalyst in selective hydrogenation reaction
, China, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Sodium triethylborohydride Catalysts: Di-μ-hydroxyhexa-μ3-hydroxyhexakis[μ6-[[4′,4′′′,4′′′′′,4′′′′′′′-methanetetraylte… (reaction products with cobalt dichloride) Solvents: Tetrahydrofuran ;  1 h, rt
1.2 Reagents: Hydrogen Solvents: Tetrahydrofuran ;  18 h, 40 bar, rt
Reference
Single-Site Cobalt Catalysts at New Zr8(μ2-O)8(μ2-OH)4 Metal-Organic Framework Nodes for Highly Active Hydrogenation of Alkenes, Imines, Carbonyls, and Heterocycles
Ji, Pengfei; Manna, Kuntal; Lin, Zekai; Urban, Ania; Greene, Francis X.; et al, Journal of the American Chemical Society, 2016, 138(37), 12234-12242

Production Method 3

Reaction Conditions
1.1 Reagents: Oxalic acid Solvents: Water
Reference
Synthesis of 2-cyclohexyl-6-methylheptane
Hey, D. H.; Morris, D. S., Journal of the Chemical Society, 1948, 48, 48-9

Production Method 4

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium ;  11.4 h, 2 bar, rt → 60 °C
Reference
Process for preparation of 3,7-dimethyl-1-octen-3-ol
, World Intellectual Property Organization, , ,

Production Method 5

Reaction Conditions
1.1 Reagents: Acetonitrile ,  Water ,  Fluorine Solvents: Chloroform ;  30 min, 0 °C
Reference
Fluorine
Kotun, Stefan P., e-EROS Encyclopedia of Reagents for Organic Synthesis, 2001, 1, 1-4

Production Method 6

Reaction Conditions
1.1 Reagents: Sodium hydroxide ,  Hydrogen Catalysts: Palladium Solvents: Methyl isobutyl ketone ,  Water ;  15 bar, rt; rt → 105 °C
1.2 3 h, 105 - 110 °C; 1 h, 20 bar, 105 - 110 °C
Reference
Improved process for the production of 6-methylheptan-2-one
, World Intellectual Property Organization, , ,

Production Method 7

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Dichloromethane ;  1 h, 1 atm, rt
Reference
Palladium-catalyzed hydrogenations in dichloromethane
Mason, David J.; Timofeyenko, Yegor G.; Jagadish, Bhumasamudram; Mash, Eugene A., Synthetic Communications, 2022, 52(18), 1825-1833

Production Method 8

Reaction Conditions
1.1 Reagents: Sodium hydroxide ,  Hydrogen Catalysts: Palladium Solvents: Glycerol ,  Water ;  rt → 120 °C; 15 bar, 120 °C
1.2 3 h, 120 - 125 °C
Reference
Process for production of 6-methylheptanone
, World Intellectual Property Organization, , ,

Production Method 9

Reaction Conditions
1.1 Reagents: Hydrogen bromide
Reference
Studies on aromatic sesquiterpenes. IX. Synthesis of curcuphenol and 8-hydroxycalamenene
Tanaka, Juichi; Nobutani, Kimiaki; Adachi, Kazuo, Nippon Kagaku Kaishi, 1988, (7), 1065-73

Production Method 10

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Sodium triethylborohydride (reaction products with Zr-MTBC-CoCl) Solvents: Tetrahydrofuran ;  0.75 d, 40 bar, 40 °C
Reference
Stabilization of active metal catalysts at metal-organic framework nodes for highly efficient organic transformations
, World Intellectual Property Organization, , ,

Production Method 11

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium ,  TentaGel S-NH2 Solvents: Ethanol ;  5 h, 10 bar, 85 °C
Reference
A novel nano-palladium catalyst for continuous-flow chemoselective hydrogenation reactions
Goszewska, Ilona; Gizinski, Damian; Zienkiewicz-Machnik, Malgorzata; Lisovytskiy, Dmytro; Nikiforov, Kostyantyn; et al, Catalysis Communications, 2017, 94, 65-68

Production Method 12

Reaction Conditions
1.1 Reagents: 3,3-Dimethyl-1-butene Catalysts: (TB-5-11)-[2,6-Bis[[bis(1,1-dimethylethyl)phosphino-κP]methyl]phenyl-κC]dihydroi… Solvents: Toluene
Reference
Selective dehydrogenation of alcohols and diols catalyzed by a dihydrido iridium PCP pincer complex
Morales-Morales, David; Redon, Rocio; Wang, Zhaohui; Lee, Do W.; Yung, Cathleen; et al, Canadian Journal of Chemistry, 2001, 79, 823-829

Production Method 13

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium
Reference
Process for producing 6-methyl-3-hepten-2-one and 6-methyl-2-heptanone analogs, and process for producing phyton or isophytol
, European Patent Organization, , ,

Production Method 14

Reaction Conditions
1.1 Catalysts: Diphenyl phosphate ;  rt → 80 °C; 3 h, 80 °C; 80 °C → rt
1.2 Reagents: Hydrogen ,  2,8,9-Tris(2-methylpropyl)-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane Catalysts: Palladium ;  neutralized, 2 MPa, rt → 40 °C; 2 h, 40 °C
Reference
Preparation of δ-methyl ketone by one-pot method
, China, , ,

Production Method 15

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Nickel Solvents: Tetrahydrofuran
Reference
Study on the selective hydrogenation of isophorone
Xu, Lei; Sun, Shaoyin; Zhang, Xing; Gao, Haofei; Wang, Wei, RSC Advances, 2021, 11(8), 4465-4471

Production Method 16

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Sodium hydroxide ,  Palladium Solvents: Water
Reference
Process for the production of 6-methylheptan-2-one or homologs from acetone and isovaleraldehyde or homologs.
, United States, , ,

Production Method 17

Reaction Conditions
1.1 Reagents: Iodobenzene diacetate Catalysts: Ruthenium, [μ-[[2,2′-bipyridine]-5,5′-dicarboxylato(2-)-κN1,κN1′:κO5]]trichloro(… (ruthenium chloride-deficient) Solvents: Dichloromethane ;  2 h, 40 °C
Reference
Ruthenium Complexation in an Aluminium Metal-Organic Framework and its Application in Alcohol Oxidation Catalysis
Carson, Fabian; Agrawal, Santosh; Gustafsson, Mikaela; Bartoszewicz, Agnieszka; Moraga, Francisca; et al, Chemistry - A European Journal, 2012, 18(48), 15337-15344

Production Method 18

Reaction Conditions
1.1 Reagents: Sodium hypochlorite Catalysts: Tetrabutylammonium bromide Solvents: Ethyl acetate ,  Water ;  30 min, rt
Reference
Continuous Flow Oxidation of Alcohols and Aldehydes Utilizing Bleach and Catalytic Tetrabutylammonium Bromide
Leduc, Andrew B.; Jamison, Timothy F., Organic Process Research & Development, 2012, 16(5), 1082-1089

Production Method 19

Reaction Conditions
1.1 Reagents: Hypofluorous acid, acetonitrile (1:1) Solvents: Chloroform ,  Water
Reference
HOF·CH3CN [hypofluorous acid·acetonitrile] made directly from fluorine and water, as an ecologically friendly oxidizing reagent
Rozen, Shlomo; Bareket, Yifat; Kol, Moshe, Tetrahedron, 1993, 49(36), 8169-78

Production Method 20

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Nickel Solvents: Methanol ;  20 h, 1 mm Hg, 80 °C
Reference
Chemoselective Hydrogenation of Olefins Using a Nanostructured Nickel Catalyst
Klarner, Mara; Bieger, Sandra; Drechsler, Markus; Kempe, Rhett, Zeitschrift fuer Anorganische und Allgemeine Chemie, 2021, 647(22), 2157-2161

6-Methyl-2-heptanone Raw materials

6-Methyl-2-heptanone Preparation Products

6-Methyl-2-heptanone Suppliers

Amadis Chemical Company Limited
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(CAS:928-68-7)6-Methyl-2-heptanone
Order Number:A1207463
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 15:57
Price ($):163.0
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:928-68-7)6-Methyl-2-heptanone, ≥ 98.0%
Order Number:LE17018
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:15
Price ($):discuss personally
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Amadis Chemical Company Limited
(CAS:928-68-7)6-Methyl-2-heptanone
A1207463
Purity:99%
Quantity:25g
Price ($):163.0
Email
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:928-68-7)6-Methyl-2-heptanone, ≥ 98.0%
LE17018
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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