2-Hexanone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    591-78-6

    Molecular formula
    C6H12O

    SMILES
    CCCCC(=O)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Retention indicies (RI)

    • DB5: 792.0
    • Carbowax: 1084.5

  • Odor profile

    Fruity 91.98%
    Ketonic 76.25%
    Sweet 72.0%
    Cheesy 67.03%
    Ethereal 56.98%
    Herbal 51.05%
    Banana 50.81%
    Dairy 49.35%
    Fermented 45.83%
    Pungent 44.36%

    Scent© AI

    Odor threshold>

    • Odor Threshold Low: 0.06 [mmHg]. Odor Threshold High: 0.08 [mmHg]. Odor threshold from AIHA
    • ODOR 3 PPM: 3= EASILY NOTICEABLE; IRRITATION 2 PPM: 2= FAINT.
    • 0.28-0.35 mg/cu m
    • In air is 0.076 ppm and in water is 0.25 mg/L.

  • Properties

    XLogP3-AA
    1.4

    Molecular weight
    100.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

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

    Boiling point

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

    Flash point est.
    22.93 ˚C

    Flash point expt.

    • 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

    Solubility expt.

    • 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

  • Applications

    2-Hexanone (CAS 591-78-6), also known as methyl butyl ketone, is used primarily as a medium-volatility industrial solvent for nitrocellulose, vinyl and acrylic resins, polyurethane, epoxy, rubber and copolymers, providing solvency, viscosity control and drying rate in paints, inks, adhesives, varnishes and sealants; as a reaction medium or extraction solvent in organic synthesis and polymer processing (e.g., extracting natural resins, waxes and oils; metal surface degreasing prior to coating); as a carrier solvent in certain pesticide formulations and lubricant additive packages; and as an intermediate toward related C6 derivatives (via transformations such as hydrogenation, aldol condensation, and oxime/hydrazone formation for purification) as well as an analytical reference in quality control; however, due to peripheral neurotoxicity and occupational regulations, its use today is typically confined to closed, emission-controlled processes, is being replaced by less hazardous solvents, and must comply with ventilation, PPE and exposure limits.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1187.25
    methanol 1550.52
    isopropanol 1127.61
    water 8.06
    ethyl acetate 346.67
    n-propanol 1003.18
    acetone 657.96
    n-butanol 896.38
    acetonitrile 522.04
    DMF 862.19
    toluene 184.3
    isobutanol 743.73
    1,4-dioxane 727.24
    methyl acetate 403.75
    THF 849.78
    2-butanone 516.48
    n-pentanol 537.39
    sec-butanol 916.89
    n-hexane 248.32
    ethylene glycol 398.0
    NMP 693.41
    cyclohexane 150.04
    DMSO 638.32
    n-butyl acetate 352.36
    n-octanol 406.33
    chloroform 1357.96
    n-propyl acetate 207.21
    acetic acid 689.21
    dichloromethane 807.35
    cyclohexanone 651.75
    propylene glycol 660.74
    isopropyl acetate 229.09
    DMAc 603.28
    2-ethoxyethanol 538.01
    isopentanol 660.84
    n-heptane 129.58
    ethyl formate 253.59
    1,2-dichloroethane 424.62
    n-hexanol 855.08
    2-methoxyethanol 1034.47
    isobutyl acetate 169.19
    tetrachloromethane 276.17
    n-pentyl acetate 251.03
    transcutol 1256.39
    n-heptanol 359.44
    ethylbenzene 146.37
    MIBK 266.1
    2-propoxyethanol 877.48
    tert-butanol 1140.42
    MTBE 579.43
    2-butoxyethanol 465.65
    propionic acid 684.18
    o-xylene 160.11
    formic acid 238.09
    diethyl ether 427.19
    m-xylene 166.56
    p-xylene 187.21
    chlorobenzene 280.35
    dimethyl carbonate 96.41
    n-octane 56.21
    formamide 182.31
    cyclopentanone 689.88
    2-pentanone 406.48
    anisole 268.95
    cyclopentyl methyl ether 436.0
    gamma-butyrolactone 630.45
    1-methoxy-2-propanol 844.31
    pyridine 502.75
    3-pentanone 271.76
    furfural 587.73
    n-dodecane 45.88
    diethylene glycol 660.88
    diisopropyl ether 144.48
    tert-amyl alcohol 860.19
    acetylacetone 343.4
    n-hexadecane 49.35
    acetophenone 234.68
    methyl propionate 282.8
    isopentyl acetate 330.68
    trichloroethylene 792.09
    n-nonanol 322.49
    cyclohexanol 636.86
    benzyl alcohol 289.27
    2-ethylhexanol 404.62
    isooctanol 262.62
    dipropyl ether 302.87
    1,2-dichlorobenzene 262.8
    ethyl lactate 178.98
    propylene carbonate 357.53
    n-methylformamide 422.42
    2-pentanol 611.93
    n-pentane 165.02
    1-propoxy-2-propanol 636.01
    1-methoxy-2-propyl acetate 319.75
    2-(2-methoxypropoxy) propanol 392.41
    mesitylene 115.85
    ε-caprolactone 503.54
    p-cymene 127.59
    epichlorohydrin 570.62
    1,1,1-trichloroethane 552.06
    2-aminoethanol 732.9
    morpholine-4-carbaldehyde 676.83
    sulfolane 722.79
    2,2,4-trimethylpentane 78.66
    2-methyltetrahydrofuran 748.94
    n-hexyl acetate 449.22
    isooctane 61.65
    2-(2-butoxyethoxy)ethanol 521.71
    sec-butyl acetate 165.03
    tert-butyl acetate 268.03
    decalin 88.6
    glycerin 666.79
    diglyme 704.86
    acrylic acid 549.06
    isopropyl myristate 170.14
    n-butyric acid 721.42
    acetyl acetate 197.6
    di(2-ethylhexyl) phthalate 171.92
    ethyl propionate 181.42
    nitromethane 586.85
    1,2-diethoxyethane 361.19
    benzonitrile 370.48
    trioctyl phosphate 139.65
    1-bromopropane 447.63
    gamma-valerolactone 789.96
    n-decanol 234.65
    triethyl phosphate 116.02
    4-methyl-2-pentanol 321.77
    propionitrile 502.36
    vinylene carbonate 328.84
    1,1,2-trichlorotrifluoroethane 600.29
    DMS 231.64
    cumene 124.83
    2-octanol 264.96
    2-hexanone 308.7
    octyl acetate 215.64
    limonene 215.11
    1,2-dimethoxyethane 642.25
    ethyl orthosilicate 120.55
    tributyl phosphate 154.95
    diacetone alcohol 431.01
    N,N-dimethylaniline 202.7
    acrylonitrile 546.94
    aniline 326.42
    1,3-propanediol 773.02
    bromobenzene 271.72
    dibromomethane 652.02
    1,1,2,2-tetrachloroethane 779.09
    2-methyl-cyclohexyl acetate 215.87
    tetrabutyl urea 192.55
    diisobutyl methanol 214.61
    2-phenylethanol 342.05
    styrene 179.49
    dioctyl adipate 218.78
    dimethyl sulfate 171.64
    ethyl butyrate 203.37
    methyl lactate 261.12
    butyl lactate 254.99
    diethyl carbonate 133.66
    propanediol butyl ether 578.37
    triethyl orthoformate 160.95
    p-tert-butyltoluene 132.45
    methyl 4-tert-butylbenzoate 279.54
    morpholine 880.19
    tert-butylamine 726.17
    n-dodecanol 180.65
    dimethoxymethane 344.93
    ethylene carbonate 256.2
    cyrene 263.9
    2-ethoxyethyl acetate 272.9
    2-ethylhexyl acetate 247.82
    1,2,4-trichlorobenzene 315.83
    4-methylpyridine 517.61
    dibutyl ether 310.97
    2,6-dimethyl-4-heptanol 214.61
    DEF 404.33
    dimethyl isosorbide 435.74
    tetrachloroethylene 523.49
    eugenol 286.01
    triacetin 344.94
    span 80 437.89
    1,4-butanediol 348.03
    1,1-dichloroethane 660.98
    2-methyl-1-pentanol 436.74
    methyl formate 258.63
    2-methyl-1-butanol 642.67
    n-decane 77.13
    butyronitrile 516.66
    3,7-dimethyl-1-octanol 361.23
    1-chlorooctane 218.9
    1-chlorotetradecane 90.01
    n-nonane 83.35
    undecane 56.95
    tert-butylcyclohexane 107.25
    cyclooctane 55.99
    cyclopentanol 729.43
    tetrahydropyran 719.34
    tert-amyl methyl ether 413.28
    2,5,8-trioxanonane 528.74
    1-hexene 481.2
    2-isopropoxyethanol 408.96
    2,2,2-trifluoroethanol 190.08
    methyl butyrate 259.75

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

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%