2-Heptanone

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  • Identifiers

    CAS number
    110-43-0

    Molecular formula
    C7H14O

    SMILES
    CCCCCC(=O)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 892.33
    • Carbowax: 1172.71

  • Odor profile

    Fruity 90.47%
    Herbal 77.55%
    Green 75.65%
    Ketonic 73.33%
    Cheesy 71.45%
    Sweet 71.12%
    Fatty 58.53%
    Earthy 56.15%
    Spicy 54.82%
    Woody 51.17%

    Scent© AI

    Odor threshold>

    • Odor Threshold Low: 0.18 [mmHg]. Odor Threshold High: 0.19 [mmHg]. Odor threshold from AIHA
    • About 0.020 ppm
    • Detection: 0.14 mg/kg; recognition: 3.0 mg/kg
    • 0.15 to 0.35 ppm

  • Properties

    XLogP3-AA
    2.0

    Molecular weight
    114.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -31 °F (USCG, 1999)
    • -35.5 °C
    • -35 °C
    • -32 °F

    Boiling point

    • 300 °F at 760 mmHg (USCG, 1999)
    • 151.5 °C at 760 mm Hg; 111 °C at 21 mm Hg
    • 149.00 to 150.00 °C. @ 760.00 mm Hg
    • 151 °C
    • 305 °F

    Flash point est.
    40.8 ˚C

    Flash point expt.

    • 102 °F (USCG, 1999)
    • 39 °C
    • 102 °F (39 °C) (Closed cup)
    • 117 °F (Open cup)
    • 102 °F

    Solubility expt.

    • 0.4 % (NIOSH, 2024)
    • Soluble in alcohol and ether
    • 0.43% (by wt) in water
    • Miscible with organic solvents
    • In water, 4.28X10+3 mg/L at 25 °C
    • 4.3 mg/mL at 25 °C
    • Solubility in water: poor
    • miscible with alcohol and ether; 1 ml in 250 ml water
    • 0.4%

  • Synonyms

    • 2-HEPTANONE
    • Heptan-2-one
    • 110-43-0
    • Methyl pentyl ketone
    • Butylacetone
    • Amyl methyl ketone
    • Methyl amyl ketone
    • Methyl n-amyl ketone
    • n-Amyl methyl ketone
    • n-Pentyl methyl ketone
    • Pentyl methyl ketone
    • Methyl n-pentyl ketone
    • Heptanone
    • Ketone, methyl pentyl
    • Amyl-methyl-cetone
    • Methyl-amyl-cetone
    • Ketone C-7
    • Methyl-n-amylketone
    • 2-Heptanone (natural)
    • FEMA No. 2544
    • FEMA Number 2544
    • NSC 7313
    • HSDB 1122
    • 1-Methylhexanal
    • 2-Ketoheptane
    • 2-Oxoheptane
    • EINECS 203-767-1
    • UNII-89VVP1B008
    • BRN 1699063
    • CCRIS 8809
    • CHEBI:5672
    • DTXSID5021916
    • AI3-01230
    • 89VVP1B008
    • NSC-7313
    • CHEMBL18893
    • DTXCID601916
    • EC 203-767-1
    • 4-01-00-03318 (Beilstein Handbook Reference)
    • Amyl-methyl-cetone [French]
    • Methyl-amyl-cetone [French]
    • CAS-110-43-0
    • methyl-n-amyl ketone
    • Methyl (n-amyl) ketone
    • UN1110
    • methylamyl ketone
    • heptanone-2
    • methylpentylketone
    • 2-heptanal
    • MnAK
    • MFCD00009513
    • 2-Heptanone, 98%
    • 2-Heptanone, 99%
    • 2-HEPTANONE [MI]
    • n-C5H11COCH3
    • 2-HEPTANONE [FCC]
    • 2-HEPTANONE [FHFI]
    • 2-HEPTANONE [HSDB]
    • SCHEMBL29364
    • 2-heptanone_GurudeebanSatyavani
    • SCHEMBL1122991
    • WLN: 5V1
    • 2-Heptanone, analytical standard
    • NSC7313
    • 2-Heptanone, natural, 98%, FG
    • ZAA58856
    • Tox21_202164
    • Tox21_302935
    • BBL011381
    • BDBM50028842
    • LMFA12000004
    • STL146482
    • 2-Heptanone, >=98%, FCC, FG
    • AKOS000120708
    • FM01213
    • UN 1110
    • NCGC00249180-01
    • NCGC00256611-01
    • NCGC00259713-01
    • VS-02935
    • H0037
    • NS00007136
    • EN300-21047
    • C08380
    • G84027
    • A802193
    • Q517266
    • n-Amyl methyl ketone [UN1110] [Flammable liquid]
    • InChI=1/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H
    • 203-767-1

  • Applications

    2-Heptanone (methyl n-amyl ketone), CAS 110-43-0, is a straight-chain ketone with a characteristic banana-like odor that finds broad use as a flavour ingredient in food, confectionery, beverages and as a fragrance modifier in cosmetics, perfumes and scented candles; in laboratories and industry it serves as a moderately polar solvent for resins, paints, adhesives, printing inks and industrial coatings because of its convenient boiling point and ability to dissolve esters, nitrocellulose and acrylics; in agriculture and molecular biology 2-Heptanone is studied as the alarm pheromone of honey bees, a rodent and insect repellent and a volatile breath biomarker for non-invasive disease diagnostics; the chemical also acts as an intermediate in the synthesis of pharmaceuticals, pesticides and surface-active agents, yet its flammability and potential to irritate eyes, skin and respiratory tract require compliance with safety regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2804.94
    methanol 2649.55
    isopropanol 2327.72
    water 2.49
    ethyl acetate 878.1
    n-propanol 1922.03
    acetone 1435.6
    n-butanol 1867.59
    acetonitrile 1157.92
    DMF 1043.6
    toluene 380.5
    isobutanol 1312.65
    1,4-dioxane 1838.84
    methyl acetate 725.02
    THF 2305.62
    2-butanone 906.37
    n-pentanol 993.36
    sec-butanol 1508.5
    n-hexane 558.59
    ethylene glycol 414.43
    NMP 945.57
    cyclohexane 638.51
    DMSO 1179.51
    n-butyl acetate 1018.64
    n-octanol 688.77
    chloroform 3099.23
    n-propyl acetate 490.26
    acetic acid 1476.59
    dichloromethane 2074.78
    cyclohexanone 1591.18
    propylene glycol 782.39
    isopropyl acetate 512.57
    DMAc 616.05
    2-ethoxyethanol 806.88
    isopentanol 1295.02
    n-heptane 493.35
    ethyl formate 638.55
    1,2-dichloroethane 893.88
    n-hexanol 1817.1
    2-methoxyethanol 1619.87
    isobutyl acetate 310.71
    tetrachloromethane 540.53
    n-pentyl acetate 549.03
    transcutol 2458.8
    n-heptanol 616.24
    ethylbenzene 249.24
    MIBK 448.43
    2-propoxyethanol 1441.42
    tert-butanol 2024.25
    MTBE 973.03
    2-butoxyethanol 707.31
    propionic acid 1072.14
    o-xylene 249.7
    formic acid 353.96
    diethyl ether 1116.55
    m-xylene 263.4
    p-xylene 309.11
    chlorobenzene 560.04
    dimethyl carbonate 132.74
    n-octane 124.62
    formamide 343.0
    cyclopentanone 1301.6
    2-pentanone 827.63
    anisole 410.0
    cyclopentyl methyl ether 967.07
    gamma-butyrolactone 1253.39
    1-methoxy-2-propanol 1195.41
    pyridine 1146.19
    3-pentanone 474.8
    furfural 1048.6
    n-dodecane 78.85
    diethylene glycol 829.98
    diisopropyl ether 310.73
    tert-amyl alcohol 1284.36
    acetylacetone 654.98
    n-hexadecane 86.8
    acetophenone 345.28
    methyl propionate 493.37
    isopentyl acetate 838.69
    trichloroethylene 1612.88
    n-nonanol 531.98
    cyclohexanol 1542.79
    benzyl alcohol 409.28
    2-ethylhexanol 939.29
    isooctanol 424.88
    dipropyl ether 920.33
    1,2-dichlorobenzene 462.62
    ethyl lactate 232.15
    propylene carbonate 735.86
    n-methylformamide 645.12
    2-pentanol 1127.35
    n-pentane 475.31
    1-propoxy-2-propanol 1173.36
    1-methoxy-2-propyl acetate 600.43
    2-(2-methoxypropoxy) propanol 578.16
    mesitylene 170.21
    ε-caprolactone 1205.83
    p-cymene 241.49
    epichlorohydrin 1194.79
    1,1,1-trichloroethane 1094.5
    2-aminoethanol 961.24
    morpholine-4-carbaldehyde 1063.05
    sulfolane 1183.28
    2,2,4-trimethylpentane 123.31
    2-methyltetrahydrofuran 1797.48
    n-hexyl acetate 870.12
    isooctane 105.28
    2-(2-butoxyethoxy)ethanol 856.71
    sec-butyl acetate 317.82
    tert-butyl acetate 483.07
    decalin 173.69
    glycerin 702.68
    diglyme 1216.93
    acrylic acid 751.93
    isopropyl myristate 299.34
    n-butyric acid 1704.92
    acetyl acetate 427.78
    di(2-ethylhexyl) phthalate 265.42
    ethyl propionate 376.49
    nitromethane 1238.67
    1,2-diethoxyethane 843.49
    benzonitrile 686.91
    trioctyl phosphate 223.8
    1-bromopropane 1022.91
    gamma-valerolactone 1528.09
    n-decanol 365.54
    triethyl phosphate 216.04
    4-methyl-2-pentanol 501.73
    propionitrile 994.5
    vinylene carbonate 627.18
    1,1,2-trichlorotrifluoroethane 944.94
    DMS 353.73
    cumene 177.06
    2-octanol 452.56
    2-hexanone 609.62
    octyl acetate 393.97
    limonene 483.0
    1,2-dimethoxyethane 1264.68
    ethyl orthosilicate 219.06
    tributyl phosphate 276.51
    diacetone alcohol 582.95
    N,N-dimethylaniline 270.69
    acrylonitrile 906.82
    aniline 584.24
    1,3-propanediol 1223.31
    bromobenzene 559.23
    dibromomethane 1580.67
    1,1,2,2-tetrachloroethane 1429.84
    2-methyl-cyclohexyl acetate 436.97
    tetrabutyl urea 333.95
    diisobutyl methanol 413.04
    2-phenylethanol 554.81
    styrene 319.19
    dioctyl adipate 409.5
    dimethyl sulfate 200.93
    ethyl butyrate 601.02
    methyl lactate 297.05
    butyl lactate 445.29
    diethyl carbonate 328.24
    propanediol butyl ether 759.56
    triethyl orthoformate 388.12
    p-tert-butyltoluene 231.42
    methyl 4-tert-butylbenzoate 383.58
    morpholine 2237.09
    tert-butylamine 1434.16
    n-dodecanol 272.25
    dimethoxymethane 566.46
    ethylene carbonate 578.66
    cyrene 340.68
    2-ethoxyethyl acetate 528.8
    2-ethylhexyl acetate 647.32
    1,2,4-trichlorobenzene 521.17
    4-methylpyridine 1027.9
    dibutyl ether 737.87
    2,6-dimethyl-4-heptanol 413.04
    DEF 749.61
    dimethyl isosorbide 734.16
    tetrachloroethylene 994.63
    eugenol 385.31
    triacetin 553.61
    span 80 737.26
    1,4-butanediol 424.33
    1,1-dichloroethane 1315.01
    2-methyl-1-pentanol 709.76
    methyl formate 394.38
    2-methyl-1-butanol 1085.33
    n-decane 140.58
    butyronitrile 1304.97
    3,7-dimethyl-1-octanol 566.81
    1-chlorooctane 375.35
    1-chlorotetradecane 143.42
    n-nonane 159.01
    undecane 99.78
    tert-butylcyclohexane 161.37
    cyclooctane 169.03
    cyclopentanol 1474.26
    tetrahydropyran 2270.66
    tert-amyl methyl ether 627.71
    2,5,8-trioxanonane 838.06
    1-hexene 1054.34
    2-isopropoxyethanol 556.64
    2,2,2-trifluoroethanol 286.6
    methyl butyrate 585.38

    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
Boldo leaf Boldea fragrans Juss. (Peumus boldus Mol.) 0.05%
Clove bud (Malagasy) 8000-34-8 Eugenia caryophyllus (Spreng.) Bullock & Harrison (E.caryophyllata Thunb.) 0.04%
Ginger (India) 1 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.1%
Ginger (Vietnam) 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.05%
Massoia bark Cryptocaryo massoia, fam. Lauraceae 0.01%
Cascarilla 2 8007-06-5 Croton eluteria Bennett, fam. Euphorbiaceae 0.01%
Ginger (China) 3 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.01%
Ginger (China) 4 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.01%
Rhus coriaria Rhus coriaria L., fam. Anarcadiaceae 0.01%
Scleria striatinux rhizome (Cameroon) Scleria striatinux De Wild., fam. Cyperaceae 0.3%
Ambarella fruit Spondias cytherea Sonnerat (Ambarella), fam. Anacardiaceae 0.04%
Ruta chalepensis (Turkey) Ruta chalepensis L., fam. Rutaceae 0.03%
Rose (China) 2 8007-01-7 Rosa damascena Mill., fam. Rosaceae 0.07%
Boldo leaf (Italy) Boldea fragrans Juss. (Peumus boldus Mol.) 0.06%
Boldo leaf (Chile) Boldea fragrans Juss. (Peumus boldus Mol.) 0.03%
Fenugreek 1b steamdistillate 84625-40-1 Trigonella foenum-graecum L., fam. Leguminosae 2.5%
Rue (China) 2 8014-29-7 Ruta graveolens L., fam. Rutaceae 0.01%
Mullilam leaf (India) Zanthoxylum rhetsa D.C. syn. Z. limonella (Dennst.) Alston, fam. Rutaceae 0.01%
Mullilam seed (India) Zanthoxylum rhetsa D.C. syn. Z. limonella (Dennst.) Alston, fam. Rutaceae 0.01%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 4.8%
Carob bean powder 2a raw 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.01%
Carob bean powder 2b roasted 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 1.9%
Turmeric (India) 5a rhizome 8024-37-1 Curcuma longa L., cv. Roma (C. domestica Val.), fam. Zingiberaceae 0.05%
Geranium (India) 14a 8000-46-2 Pelargonium species, cultivar Bourbon, fam. Geraniaceae 0.05%
Cinnamon leaf (India) 4 8007-80-5 Cinnamomum zeylanicum Blume (C. verum L. Presl), fam. Lauraceae 0.02%
Cassie absolute 1b headspace 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.05%
Annual wormwood (India) 2 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 0.1%
Banana passa headspace extract (Brazil) 89957-82-4 Musa cavendishii cultivar nanica, fam. Musaceae 0.05%
Ambarella fruit (Brazil) Spondias cytherea Sonnerat, fam. Anarcardiaceae 0.05%
Asafoetida headspace 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 0.04%