2-Pentanone

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  • Identifiers

    CAS number
    107-87-9

    Molecular formula
    C5H10O

    SMILES
    CCCC(=O)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 686.5
    • Carbowax: 973.4

  • Odor profile

    Fruity 89.71%
    Sweet 79.98%
    Ethereal 73.76%
    Ketonic 66.29%
    Banana 53.79%
    Solvent 51.97%
    Fermented 51.69%
    Pungent 47.09%
    Cheesy 46.97%
    Rummy 44.47%

    Scent© AI

    Odor threshold

    • Odor Threshold Low: 3.1 [mmHg]. Odor Threshold High: 13.6 [mmHg]. Detection odor threshold from AIHA (mean = 7.7 ppm)
    • Odor detection limit in air 4.41x10+1 ppm.

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    8.69 (weak base)

    Molecular weight
    86.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -108 °F (NTP, 1992)
    • -76.8 °C
    • -76.9 °C
    • -78 °C
    • -108 °F

    Boiling point

    • 212 to 214 °F at 760 mmHg (NTP, 1992)
    • 102.26 °C
    • 100.00 to 110.00 °C. @ 760.00 mm Hg
    • 102 °C
    • 215 °F

    Flash point est.
    8.01 ˚C

    Flash point expt.

    • 45 °F (NTP, 1992)
    • Flash point equals 7 °C
    • 45 °F ( 7.0 °C) (Closed cup)
    • 7 °C c.c.
    • 45 °F

    Solubility expt.

    • 10 to 50 mg/mL at 72 °F (NTP, 1992)
    • Slightly soluble in carbon tetrachloride
    • Miscible with alcohol and ether
    • In water, 4.3X10+4 mg/L at 25 °C
    • 43 mg/mL at 25 °C
    • Solubility in water, g/100ml at 20 °C: 4 (moderate)
    • miscible with alcohol, ether, propylene glycol, oils; 1 ml in 25 ml water
    • 6%

  • Synonyms

    • 2-Pentanone
    • 107-87-9
    • PENTAN-2-ONE
    • METHYL PROPYL KETONE
    • Ethyl acetone
    • Pentanone
    • Ethylacetone
    • Methyl n-propyl ketone
    • Propyl methyl ketone
    • Metylopropyloketon
    • Methylpropyl ketone
    • Methyl-propyl-cetone
    • pentanone-2
    • 2-Pentanone (natural)
    • FEMA No. 2842
    • 4-methyl-2-butanone
    • n-propyl methyl ketone
    • HSDB 158
    • n-C3H7COCH3
    • NSC 5350
    • EINECS 203-528-1
    • UN1249
    • BRN 0506058
    • DTXSID0021888
    • UNII-I97392I10V
    • CHEBI:16472
    • Methyl-n-propyl ketone
    • NSC-5350
    • 2-PENTANONE [FCC]
    • 2-PENTANONE [FHFI]
    • DTXCID301888
    • EC 203-528-1
    • METHYL PROPYL KETONE [MI]
    • 4-01-00-03271 (Beilstein Handbook Reference)
    • METHYL PROPYL KETONE [HSDB]
    • I97392I10V
    • UN 1249
    • FEMA Number 2842
    • Metylopropyloketon [Polish]
    • CAS-107-87-9
    • Methyl-propyl-cetone [French]
    • AI3-32118
    • methylpropylcetone
    • 2-pentanal
    • MFCD00009400
    • ETHYLACETON
    • Methyl npropyl ketone
    • 2Pentanone (natural)
    • ISOAMINO PENTANE
    • 2-Pentanone (OSHA)
    • 3bh3
    • ISOBUTYL CARBYLAMINE
    • Methyl propyl ketone [UN1249] [Flammable liquid]
    • CHEMBL45345
    • WLN: 3V1
    • 2-Pentanone, analytical standard
    • FEMA 2842
    • NSC5350
    • 2-Pentanone, for HPLC, 99.5%
    • Methyl propyl ketone (ACGIH:OSHA)
    • Tox21_201670
    • Tox21_303016
    • LMFA12000003
    • 2-Pentanone, >=98%, FCC, FG
    • 2-Pentanone, reagent grade, >=90%
    • AKOS000121554
    • 2-Pentanone, >=99.0%, natural, FG
    • NCGC00249095-01
    • NCGC00256617-01
    • NCGC00259219-01
    • FP139318
    • 2-Pentanone, ultrapure grade, >=99.5%
    • NS00009081
    • P0060
    • EN300-21239
    • C01949
    • A801775
    • Q209460
    • Methyl propyl ketone [UN1249] [Flammable liquid]
    • F0001-0145
    • 2-Pentanone, ReagentPlus(R), >=99%, purified by redistillation

  • Applications

    2-Pentanone (methyl propyl ketone) is used as a fast-evaporating solvent for nitrocellulose, acrylic and vinyl resins in coatings, inks and adhesives, as a metal-degreasing and electronic-cleaning agent, an extraction medium for fats, essential oils and flavors in the food-flavor industry, and as an intermediate in the synthesis of pharmaceuticals, agrochemicals, fruity fragrance ingredients, plasticizers, fuel additives and polymerization initiators; it is also being investigated as a potential biomarker compound in medical diagnostics.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2903.4
    methanol 3836.14
    isopropanol 2059.03
    water 44.51
    ethyl acetate 935.33
    n-propanol 1897.19
    acetone 1376.25
    n-butanol 1769.61
    acetonitrile 1274.84
    DMF 1103.49
    toluene 339.02
    isobutanol 1264.02
    1,4-dioxane 1625.49
    methyl acetate 815.08
    THF 2140.35
    2-butanone 974.54
    n-pentanol 1078.7
    sec-butanol 1605.19
    n-hexane 693.07
    ethylene glycol 725.68
    NMP 1376.92
    cyclohexane 556.33
    DMSO 925.61
    n-butyl acetate 855.71
    n-octanol 772.57
    chloroform 2550.49
    n-propyl acetate 484.34
    acetic acid 2788.7
    dichloromethane 1642.4
    cyclohexanone 1386.59
    propylene glycol 836.1
    isopropyl acetate 518.35
    DMAc 848.14
    2-ethoxyethanol 962.98
    isopentanol 1177.5
    n-heptane 382.55
    ethyl formate 613.88
    1,2-dichloroethane 793.52
    n-hexanol 1630.78
    2-methoxyethanol 1653.75
    isobutyl acetate 305.79
    tetrachloromethane 595.72
    n-pentyl acetate 549.41
    transcutol 3037.64
    n-heptanol 582.13
    ethylbenzene 206.35
    MIBK 440.57
    2-propoxyethanol 1499.67
    tert-butanol 1799.52
    MTBE 1023.3
    2-butoxyethanol 729.05
    propionic acid 1536.18
    o-xylene 245.81
    formic acid 984.48
    diethyl ether 1208.89
    m-xylene 241.8
    p-xylene 281.19
    chlorobenzene 529.09
    dimethyl carbonate 166.03
    n-octane 112.95
    formamide 692.74
    cyclopentanone 1354.27
    2-pentanone 840.22
    anisole 375.97
    cyclopentyl methyl ether 1041.22
    gamma-butyrolactone 1410.92
    1-methoxy-2-propanol 1117.1
    pyridine 931.51
    3-pentanone 572.0
    furfural 1019.14
    n-dodecane 80.23
    diethylene glycol 1059.73
    diisopropyl ether 338.24
    tert-amyl alcohol 1446.15
    acetylacetone 667.06
    n-hexadecane 85.98
    acetophenone 337.7
    methyl propionate 582.98
    isopentyl acetate 673.48
    trichloroethylene 1425.4
    n-nonanol 613.95
    cyclohexanol 1432.75
    benzyl alcohol 423.33
    2-ethylhexanol 802.39
    isooctanol 403.64
    dipropyl ether 679.08
    1,2-dichlorobenzene 436.84
    ethyl lactate 231.0
    propylene carbonate 707.71
    n-methylformamide 833.33
    2-pentanol 1141.59
    n-pentane 495.26
    1-propoxy-2-propanol 1047.86
    1-methoxy-2-propyl acetate 560.48
    2-(2-methoxypropoxy) propanol 581.5
    mesitylene 162.84
    ε-caprolactone 1167.74
    p-cymene 192.72
    epichlorohydrin 1096.08
    1,1,1-trichloroethane 1006.39
    2-aminoethanol 1186.28
    morpholine-4-carbaldehyde 1264.76
    sulfolane 1245.74
    2,2,4-trimethylpentane 170.84
    2-methyltetrahydrofuran 1844.14
    n-hexyl acetate 945.53
    isooctane 107.58
    2-(2-butoxyethoxy)ethanol 924.26
    sec-butyl acetate 323.69
    tert-butyl acetate 483.25
    decalin 173.71
    glycerin 928.25
    diglyme 1164.58
    acrylic acid 1192.95
    isopropyl myristate 290.16
    n-butyric acid 1689.23
    acetyl acetate 521.71
    di(2-ethylhexyl) phthalate 256.28
    ethyl propionate 379.14
    nitromethane 1740.06
    1,2-diethoxyethane 911.6
    benzonitrile 584.93
    trioctyl phosphate 197.49
    1-bromopropane 777.55
    gamma-valerolactone 1434.07
    n-decanol 410.31
    triethyl phosphate 167.09
    4-methyl-2-pentanol 478.51
    propionitrile 900.36
    vinylene carbonate 587.12
    1,1,2-trichlorotrifluoroethane 999.67
    DMS 398.94
    cumene 168.75
    2-octanol 456.84
    2-hexanone 616.58
    octyl acetate 391.86
    limonene 397.88
    1,2-dimethoxyethane 1162.68
    ethyl orthosilicate 187.05
    tributyl phosphate 248.04
    diacetone alcohol 624.22
    N,N-dimethylaniline 262.3
    acrylonitrile 897.36
    aniline 565.87
    1,3-propanediol 1278.91
    bromobenzene 460.94
    dibromomethane 1261.46
    1,1,2,2-tetrachloroethane 1193.15
    2-methyl-cyclohexyl acetate 385.56
    tetrabutyl urea 304.08
    diisobutyl methanol 318.59
    2-phenylethanol 515.38
    styrene 254.47
    dioctyl adipate 351.42
    dimethyl sulfate 238.8
    ethyl butyrate 430.0
    methyl lactate 338.42
    butyl lactate 409.54
    diethyl carbonate 227.94
    propanediol butyl ether 828.06
    triethyl orthoformate 292.3
    p-tert-butyltoluene 187.73
    methyl 4-tert-butylbenzoate 371.48
    morpholine 1876.03
    tert-butylamine 1285.57
    n-dodecanol 285.94
    dimethoxymethane 593.25
    ethylene carbonate 531.59
    cyrene 382.11
    2-ethoxyethyl acetate 564.89
    2-ethylhexyl acetate 528.54
    1,2,4-trichlorobenzene 497.97
    4-methylpyridine 897.83
    dibutyl ether 693.51
    2,6-dimethyl-4-heptanol 318.59
    DEF 812.89
    dimethyl isosorbide 710.91
    tetrachloroethylene 937.86
    eugenol 397.21
    triacetin 551.96
    span 80 685.67
    1,4-butanediol 564.59
    1,1-dichloroethane 1081.48
    2-methyl-1-pentanol 809.54
    methyl formate 533.07
    2-methyl-1-butanol 1182.18
    n-decane 145.29
    butyronitrile 1058.46
    3,7-dimethyl-1-octanol 622.29
    1-chlorooctane 429.06
    1-chlorotetradecane 150.8
    n-nonane 165.25
    undecane 101.74
    tert-butylcyclohexane 186.71
    cyclooctane 161.27
    cyclopentanol 1519.94
    tetrahydropyran 1851.06
    tert-amyl methyl ether 772.95
    2,5,8-trioxanonane 784.89
    1-hexene 1112.84
    2-isopropoxyethanol 667.72
    2,2,2-trifluoroethanol 629.62
    methyl butyrate 523.64

    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
Guava fruit (Egypt) 91770-12-6 Psidium guajava L., fam. Myrtaceae 9.1%
Marigold pot 1 70892-20-5 Calendula officinalis L. (Pot Marigold), fam. Asteraceae (Compositae) 0.01%
Marigold pot 2 70892-20-5 Calendula officinalis L. (Pot Marigold), fam. Asteraceae (Compositae) 0.04%
Lilac, White, Picked Flower Headspace 2 Syringa vulgaris L., fam. Oleaceae 0.03%
Hedyotis diffusa (Malaysia) Hedyotis diffusa Willd. (syn. Oldenlandia diffusa Roxb.), fam. Rubiaceae 0.3%
Zizyphus jujuba fruit (Malaysia) Zizyphus jujuba Mill. var. inermis, fam. Rhamnaceae 1.85%
Artemisia verlotiorum (France) Artemisia verlotiorum Lamotte, fam. Asteraceae (Compositae) 0.01%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.3%
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 0.4%
Pineapple pulp Ananas comosus (L.) Merr., fam. Bromeliaceae 0.12%
Baga fruit Annona glabra L., fam. Annonaceae 0.3%
Banana passa headspace extract (Brazil) 89957-82-4 Musa cavendishii cultivar nanica, fam. Musaceae 0.1%
Spinach, cooked Spinacia oleracea L., fam. Oleraceae 0.15%
Papaya (Cameroon) headspace of ripe fruit Carica papaya L., 0.01%