2-Octanone

  • Identifiers

    CAS mumber
    111-13-7

    Molecular formula
    C8H16O

    SMILES
    CCCCCCC(=O)C

    Retention indicies (RI)

    • DB5: 992.57
    • Carbowax: 1281.0

  • Properties

    XLogP3-AA
    2.4 Well soluble in DEP, BB, MMB

    Molecular weight
    128.21 g/mol

    Melting points

    • -16 °C
    • Liquid Molar Volume = 0.157391 cu m/kmol; IG Heat of Formation = -3.2160X10+8 J/kmol; Heat of Fusion at melting point = 2.4419X10+7 J/kmol
    • -16 °C

    Boiling points

    • 173.5
    • 173.00 to 175.00 °C. @ 760.00 mm Hg

    Flash points

    • 125 °F (52 °C) (Closed cup)

    Solubilities

    • Miscible with alcohol, ether
    • 1:9-12 IN 50% ALCOHOL, 1:1-1.7 IN 70% ALCOHOL
    • Soluble in alcohol, hydrocarbons, ether, esters, etc.
    • In water, 899 mg/L at 20 °C
    • 0.899 mg/mL at 20 °C
    • 1 ml in 1 ml 95% alcohol (in ethanol)

  • Synonyms

    • 2-OCTANONE
    • Octan-2-one
    • 111-13-7
    • Hexyl methyl ketone
    • n-Hexyl methyl ketone
    • Methyl hexyl ketone
    • Methyl n-hexyl ketone
    • 2-Oxooctane
    • 2-Octanone (natural)
    • FEMA No. 2802
    • FEMA Number 2802
    • HSDB 5545
    • octanone-2
    • NSC 3712
    • EINECS 203-837-1
    • UNII-J2G84H29AF
    • BRN 0635843
    • J2G84H29AF
    • CHEBI:87434
    • AI3-05617
    • NSC-3712
    • n-C6H13COCH3
    • 2-OCTANONE [FHFI]
    • 2-OCTANONE [HSDB]
    • CHEMBL18549
    • DTXSID4021927
    • HEXYL METHYL KETONE [MI]
    • METHYL HEXYL KETONE [FCC]
    • 4-01-00-03339 (Beilstein Handbook Reference)
    • 2Oxooctane
    • Octan2one
    • octane-2-one
    • 2- octanone
    • Methyl nhexyl ketone
    • nHexyl methyl ketone
    • MFCD00009540
    • 2Octanone (natural)
    • SCHEMBL43776
    • DTXCID301927
    • 2-Octanone, analytical standard
    • 2-Octanone, >=98%, FG
    • FEMA 2802
    • Octan-2-one;Hexyl methyl ketone
    • NSC3712
    • NSC5936
    • 2-Octanone, natural, 98%, FG
    • 2-Octanone, reagent grade, 98%
    • NSC-5936
    • BBL011429
    • BDBM50028815
    • LMFA12000054
    • STL146536
    • AKOS005720775
    • CS-W011125
    • DA-16705
    • VS-02947
    • NS00012615
    • O0038
    • EN300-20060
    • E76016
    • A802298
    • Q18611679
1 3

Botanical

Name CAS Botanical Proportion
Boldo leaf Boldea fragrans Juss. (Peumus boldus Mol.) 0.05%
Dracocephalum kotschyi Dracocephalum kotschyi Boiss., fam. Lamiaceae (Labiatae) 0.1%
Rue (Malaysia) 2 8014-29-7 Ruta angustifolia Pers., fam. Rutaceae 0.07%
Mastic gum (Greece) 2 61789-92-2 Pistacia lentiscus L., var. Chia, fam. Anacardiaceae 0.01%
Rue (Egypt) 8014-29-7 Ruta graveolens L., fam. Rutaceae 0.4%
Rhus coriaria Rhus coriaria L., fam. Anarcadiaceae 0.01%
Zizyphus jujuba fruit (Malaysia) Zizyphus jujuba Mill. var. inermis, fam. Rhamnaceae 0.17%
Indian curry leaf tree (leaf) Murraya koenigii Spreng., fam. Rutaceae 0.01%
Fitweed leaf Eryngium foetidum L., fam. Apiaceae (Umbelliferae) 0.06%
Fitweed root Eryngium foetidum L., fam. Apiaceae (Umbelliferae) 0.21%
Rue (China) 2 8014-29-7 Ruta graveolens L., fam. Rutaceae 0.24%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.5%
Cassie absolute 1a extract 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.5%
Cassie absolute 1b headspace 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.05%
Ruta chalepensis (Iran) Ruta chalepensis L., fam. Rutaceae 0.1%
Croton zambesicus (Cameroon) 1a leaf Croton zambesicus Muell. Arg., fam. Euphorbiaceae 0.01%
Croton zambesicus (Cameroon) 1b root bark Croton zambesicus Muell. Arg., fam. Euphorbiaceae 0.1%
Croton zambesicus (Cameroon) 1c stem bark Croton zambesicus Muell. Arg., fam. Euphorbiaceae 0.3%