5-Methyl-3-heptanone

  • Identifiers

    CAS mumber
    541-85-5

    Molecular formula
    C8H16O

    SMILES
    CCC(C)CC(=O)CC

    Retention indicies (RI)

    • DB5: 948.5
    • Carbowax: 1266.0

  • Properties

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

    Molecular weight
    128.21 g/mol

    Melting points

    • -70 °F (NIOSH, 2024)
    • -56.7 °C
    • -70 °F

    Boiling points

    • 315 °F at 760 mmHg (NIOSH, 2024)
    • 157-162 °C
    • 315 °F

    Flash points

    • 138 °F (NIOSH, 2024)
    • 43 °C c.c., 57.2 °C o.c.
    • 138 °F

    Solubilities

    • Insoluble (NIOSH, 2024)
    • Solubility in water, g/100ml at 20 °C: 0.3
    • Insoluble

  • Synonyms

    • 5-Methylheptan-3-one
    • 5-METHYL-3-HEPTANONE
    • 541-85-5
    • 3-Heptanone, 5-methyl-
    • Ethyl 2-methylbutyl ketone
    • Ethyl sec-amyl ketone
    • 3-Methyl-5-heptanone
    • 2-Methylbutyl ethyl ketone
    • DTXSID9047047
    • 9RQ13D247K
    • NSC-100734
    • EINECS 208-793-7
    • NSC 100734
    • BRN 0506345
    • UNII-9RQ13D247K
    • starbld0016504
    • 5-Methylheptanone-(3)
    • EC 208-793-7
    • 4-01-00-03344 (Beilstein Handbook Reference)
    • SCHEMBL104058
    • DTXCID7027047
    • CHEBI:195858
    • WLN: 2Y1&1V2
    • 5-METHYL-3-HEPTANONE [MI]
    • Tox21_303912
    • BBL011426
    • LMFA12000112
    • MFCD00009340
    • NSC100734
    • STL146533
    • AKOS000121337
    • AKOS016843699
    • (+/-)-5-METHYL-3-HEPTANONE
    • 5-Methyl-3-heptanone, >=94% (GC)
    • NCGC00357162-01
    • CAS-541-85-5
    • VS-02946
    • DB-052510
    • M0335
    • NS00007462
    • EN300-17630
    • InChI=1/C8H16O/c1-4-7(3)6-8(9)5-2/h7H,4-6H2,1-3H
1 3

Botanical

Name CAS Botanical Proportion
Thymus sibthorpii (Turkey) Thymus sibthorpii Bentham, fam. Lamiaceae (Labiatae) 5.75%
Citronella ceylon 3 8000-29-1 Cymbopogon nardus (L.) Rendle, fam. Poaceae (Gramineae) 0.07%
Origanum solymicum (Turkey) Origanum solymicum P.H. Davis, fam. Lamiaceae (Labiatae) 0.18%
Lavandin (France) (Grosso) 2 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiesleur), Lamiaceae 0.14%
Thymus syriacus (Turkey) Thymus syriacus Boiss., fam. Lamiaceae (Labiatae) 0.08%
Origanum saccatum (Turkey) Origanum saccatum P.H. Davis, fam. Lamiaceae (Labiatae) 0.04%
Micromeria carminea (Turkey) Micromeria carminea P.H. Davis (syn.M.cristata), fam. Lamiaceae (Labiatae) 0.03%
Helichrysum litoreum (Italy) 1a flower Helichrysum litoreum Guss., fam. Asteraceae (Compositae) 0.05%
Helichrysum litoreum (Italy) 1b stem Helichrysum litoreum Guss., fam. Asteraceae (Compositae) 0.05%
Thymus migricus (Turkey) Thymus migricus Klokov et Des.-Shost., fam. Lamiaceae (Labiatae) 0.8%
Thymus fedtschenkoi var. handelii (Turkey) Thymus fedtschenkoi var. handelii, fam. Lamiaceae (Labiatae) 0.2%
Thyme (Cuba) 8007-46-3 Thymus vulgaris L., fam. Lamiaceae (Labiatae) 0.16%