2-Hexanone

  • Identifiers

    CAS mumber
    591-78-6

    Molecular formula
    C6H12O

    SMILES
    CCCCC(=O)C

    Retention indicies (RI)

    • DB5: 792.0
    • Carbowax: 1084.5

  • Properties

    XLogP3-AA
    1.4 Well soluble in MMB, DEP, TEC

    Molecular weight
    100.16 g/mol

    Melting points

    • -71 °F (NTP, 1992)
    • -55.5 °C
    • -55.5 °C
    • -57 °C
    • -71 °F
    • -71 °F

    Boiling points

    • 261 °F at 760 mmHg (NTP, 1992)
    • 127.2 °C
    • 127.60 °C. @ 760.00 mm Hg
    • 126-128 °C
    • 262 °F
    • 262 °F

    Flash points

    • 73 °F (NTP, 1992)
    • 75 ° F
    • 25 °C (closed cup)
    • 95 °F (open cup)
    • 77 °F (25 °C) (Closed cup)
    • 23 °C c.c.
    • 73 °F
    • 77 °F

    Solubilities

    • 10 to 50 mg/mL at 72 °F (NTP, 1992)
    • 1.4 wt% in water at 20 °C
    • Sol in acetone; miscible in ethanol and ether
    • In water, 1.72X10+4 mg/L at 20 °C
    • 17.5 mg/mL at 20 °C
    • Solubility in water, g/100ml at 20 °C: 1.4
    • 2%

  • Synonyms

    • 2-HEXANONE
    • Hexan-2-one
    • 591-78-6
    • Butyl methyl ketone
    • Hexanone
    • Methyl butyl ketone
    • 2-Oxohexane
    • Propylacetone
    • n-Butyl methyl ketone
    • Methyl N-butyl ketone
    • Hexanone-2
    • Ketone, butyl methyl
    • MNBK
    • methyl-n-butyl ketone
    • HSDB 543
    • 2-Hexanone Methyl n-butyl ketone
    • EINECS 209-731-1
    • 6QDY60NH6N
    • BRN 1737676
    • CCRIS 8810
    • 30637-87-7
    • n-C4H9COCH3
    • 2-HEXANONE [HSDB]
    • DTXSID0022068
    • CHEBI:89206
    • METHYL BUTYL KETONE [MI]
    • METHYLBUTYLKETONE [USP-RS]
    • 4-01-00-03298 (Beilstein Handbook Reference)
    • 2-Hexanone, analytical standard
    • METHYLBUTYLKETONE (USP-RS)
    • 2 Hexanone
    • methylbutyl ketone
    • Butylmethyl Ketone
    • Hexan 2 one
    • Ketone, Butylmethyl
    • Methyl n Butyl Ketone
    • Ketone, Methyl n-Butyl
    • n-Butyl Ketone, Methyl
    • UNII-6QDY60NH6N
    • 2-hexanal
    • hexane-2-one
    • 2 -hexanone
    • methyl-4-pentanone
    • Butyl-methyl ketone
    • Methyl nbutyl ketone
    • 2-Hexanone (OSHA)
    • SCHEMBL43282
    • 2-hexanone_GurudeebanSatyavani
    • CHEMBL195861
    • DTXCID202068
    • 2-Hexanone, reagent grade, 98%
    • STR04219
    • BBL011434
    • LMFA12000048
    • MFCD00009482
    • STL146542
    • Methyl n-butyl ketone (ACGIH:OSHA)
    • AKOS000118992
    • 2-Hexanone, purum, >=96.0% (GC)
    • FH139049
    • PD124154
    • DB-003271
    • H0114
    • NS00008836
    • EN300-19141
    • A801945
    • A832195
    • Q209404
    • Q63399049
    • F0001-1552
    • 209-731-1
1 3

Botanical

Name CAS Botanical Proportion
Lemon balm (Finland) 8014-71-9 Melissa officinalis L., fam. Lamiaceae (Labiatae) 0.7%
Lemon balm (Germany) 8014-71-9 Melissa officinalis L., fam. Lamiaceae (Labiatae) 0.05%
Ginger (India) 1 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.1%
Lavender (France) 2a 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.02%
Rosa rugosa Rosa rugosa Thunb., var. plena Regel, fam. Rosaceae 0.01%
Apple flower Malus arnoldiana (Rehd) Sarg. var. Redgold, fam. Rosaceae 0.4%
Hedychium coronarium flower (Japan) Hedychium coronarium Koenig, fam. Zingiberaceae 0.06%
Daphne genkwa Daphne genkwa Sieb. et Zucc., fam. Thymelaeaceae 0.01%
Zizyphus jujuba fruit (Malaysia) Zizyphus jujuba Mill. var. inermis, fam. Rhamnaceae 0.1%
Solanum stuckertii flower Solanum stuckertii Bitter, fam. Solanaceae 0.61%
Solanum incisum flower Solanum incisum Griseb., fam. Solanaceae 3.4%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.1%
Osage orange fruit, 1b steamdistilled Maclura pomifera (Raf.) Schneid, fam. Moraceae 1.2%