3-Pentanone

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  • Identifiers

    CAS number
    96-22-0

    Molecular formula
    C5H10O

    SMILES
    CCC(=O)CC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 681.0
    • Carbowax: 982.33

  • Odor profile

    Fruity 89.89%
    Ethereal 74.68%
    Ketonic 55.25%
    Sweet 49.97%
    Cheesy 46.44%
    Fermented 45.92%
    Pungent 43.28%
    Rummy 40.67%
    Solvent 40.05%
    Caramellic 36.67%

    Scent© AI

    Odor threshold>

    • Odor Threshold Low: 0.85 [mmHg]. Odor Threshold High: 9.4 [mmHg]. Detection odor threshold from AIHA (mean = 2.8 ppm)

  • Properties

    XLogP3-AA
    0.9

    Molecular weight
    86.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -44 °F (USCG, 1999)
    • -39 °C
    • -44 °F

    Boiling point

    • 216 °F at 760 mmHg (USCG, 1999)
    • 101.7 °C
    • 102 °C
    • 215 °F

    Flash point est.
    5.87 ˚C

    Flash point expt.

    • 55 °F (USCG, 1999)
    • 13 °C
    • 13 °C (open cup)
    • 13 °C o.c.
    • 55 °F (open cup)
    • (oc) 55 °F

    Solubility expt.

    • 5 % (NIOSH, 2024)
    • Solubility at 20 °C: 2.6 wt% water in 3-pentanone
    • Miscible with ethanol, ether; soluble in carbon tetrachloride
    • In water, 47,000 mg/L at 20 °C; 38,000 mg/L at 100 °C
    • In water, 4.589X10+4 mg/L at 25 °C
    • Solubility in water, g/100ml at 25 °C: 3,9 (soluble)
    • 5%

  • Synonyms

    • 3-PENTANONE
    • Pentan-3-one
    • Diethyl ketone
    • 96-22-0
    • Ethyl ketone
    • Dimethylacetone
    • Methacetone
    • Propione
    • Metacetone
    • Pentanone-3
    • Diethylcetone
    • DIETHYLKETONE
    • Ethyl propionyl
    • NSC 8653
    • HSDB 5301
    • UNII-9SLZ98M9NK
    • EINECS 202-490-3
    • UN1156
    • 1-pentan-3-one
    • 1,3-Dimethylacetone
    • DTXSID6021820
    • CHEBI:87755
    • AI3-24337
    • NSC-8653
    • DIETHYL KETONE [MI]
    • 3-PENTANONE [HSDB]
    • 9SLZ98M9NK
    • DTXCID301820
    • DEK
    • (C2H5)2CO
    • EC 202-490-3
    • UN 1156
    • Diethylcetone [French]
    • dimethyl acetone
    • diethylketon
    • 3pentanone
    • di-ethyl ketone
    • Pentanone3
    • 3-pentanon
    • 3-penta none
    • ethyl ethyl ketone
    • MFCD00009320
    • Diethyl ketone (ACGIH)
    • ZED 2EK
    • 3-Pentanone, >=99%
    • CHEMBL45315
    • WLN: 2V2
    • 3-Pentanone, analytical standard
    • 3-Pentanone, for HPLC, 96%
    • NSC8653
    • Tox21_200677
    • BBL027755
    • LMFA12000001
    • STL281851
    • AKOS000119714
    • CAS-96-22-0
    • 3-Pentanone, ReagentPlus(R), >=99%
    • NCGC00166068-01
    • NCGC00166068-02
    • NCGC00258231-01
    • 3-Pentanone 100 microg/mL in Acetonitrile
    • NS00005016
    • P0061
    • EN300-20108
    • Diethyl ketone [UN1156] [Flammable liquid]
    • 3-Pentanone, ReagentPlus(R), >=99.0% (GC)
    • A845564
    • Q223112
    • F0001-2290
    • Z104476878

  • Applications

    3-Pentanone (C5H10O, CAS 96-22-0) is a fruity-scented ketone widely employed as a medium-volatility solvent for acrylic resins, nitrocellulose, printing inks and adhesives, as an intermediate in the synthesis of pharmaceuticals, agrochemicals and flavor compounds, as a flavoring ingredient in foods and tobacco, as an extraction agent and chromatographic standard in analytical chemistry, as a cleaning fluid for specialty electronics, and as a carbonyl building block in laboratory reactions that generate heterocycles and advanced organic materials.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1285.48
    methanol 2013.0
    isopropanol 943.76
    water 13.97
    ethyl acetate 824.16
    n-propanol 979.73
    acetone 1094.9
    n-butanol 921.76
    acetonitrile 1477.37
    DMF 1064.45
    toluene 392.83
    isobutanol 739.69
    1,4-dioxane 1072.68
    methyl acetate 895.74
    THF 1470.81
    2-butanone 991.17
    n-pentanol 707.02
    sec-butanol 914.19
    n-hexane 367.57
    ethylene glycol 227.23
    NMP 1306.5
    cyclohexane 262.1
    DMSO 923.92
    n-butyl acetate 719.32
    n-octanol 407.55
    chloroform 3192.16
    n-propyl acetate 606.34
    acetic acid 1375.17
    dichloromethane 2841.95
    cyclohexanone 1227.75
    propylene glycol 251.75
    isopropyl acetate 457.73
    DMAc 910.09
    2-ethoxyethanol 760.57
    isopentanol 717.98
    n-heptane 188.2
    ethyl formate 683.73
    1,2-dichloroethane 1256.12
    n-hexanol 593.51
    2-methoxyethanol 1090.19
    isobutyl acetate 348.07
    tetrachloromethane 907.24
    n-pentyl acetate 630.77
    transcutol 1904.37
    n-heptanol 366.16
    ethylbenzene 321.55
    MIBK 382.89
    2-propoxyethanol 716.87
    tert-butanol 967.32
    MTBE 766.8
    2-butoxyethanol 570.77
    propionic acid 1001.97
    o-xylene 305.02
    formic acid 543.18
    diethyl ether 842.0
    m-xylene 246.37
    p-xylene 488.89
    chlorobenzene 821.11
    dimethyl carbonate 172.77
    n-octane 97.6
    formamide 702.16
    cyclopentanone 1384.11
    2-pentanone 722.54
    anisole 551.97
    cyclopentyl methyl ether 693.92
    gamma-butyrolactone 1566.89
    1-methoxy-2-propanol 666.28
    pyridine 1229.91
    3-pentanone 592.62
    furfural 1419.02
    n-dodecane 57.5
    diethylene glycol 417.59
    diisopropyl ether 240.52
    tert-amyl alcohol 920.79
    acetylacetone 635.65
    n-hexadecane 63.6
    acetophenone 533.12
    methyl propionate 559.4
    isopentyl acetate 593.95
    trichloroethylene 2351.31
    n-nonanol 347.98
    cyclohexanol 728.12
    benzyl alcohol 511.53
    2-ethylhexanol 408.5
    isooctanol 290.49
    dipropyl ether 481.89
    1,2-dichlorobenzene 762.33
    ethyl lactate 226.93
    propylene carbonate 774.33
    n-methylformamide 842.09
    2-pentanol 644.55
    n-pentane 258.56
    1-propoxy-2-propanol 564.91
    1-methoxy-2-propyl acetate 429.49
    2-(2-methoxypropoxy) propanol 422.03
    mesitylene 161.36
    ε-caprolactone 1120.4
    p-cymene 225.41
    epichlorohydrin 1387.46
    1,1,1-trichloroethane 1503.58
    2-aminoethanol 517.42
    morpholine-4-carbaldehyde 1054.02
    sulfolane 1340.96
    2,2,4-trimethylpentane 128.08
    2-methyltetrahydrofuran 1392.19
    n-hexyl acetate 778.86
    isooctane 70.07
    2-(2-butoxyethoxy)ethanol 616.21
    sec-butyl acetate 389.87
    tert-butyl acetate 431.45
    decalin 147.6
    glycerin 300.66
    diglyme 1104.52
    acrylic acid 797.15
    isopropyl myristate 258.51
    n-butyric acid 1188.97
    acetyl acetate 499.77
    di(2-ethylhexyl) phthalate 231.04
    ethyl propionate 477.02
    nitromethane 1548.5
    1,2-diethoxyethane 845.63
    benzonitrile 877.51
    trioctyl phosphate 170.27
    1-bromopropane 1054.74
    gamma-valerolactone 1450.23
    n-decanol 231.84
    triethyl phosphate 228.59
    4-methyl-2-pentanol 311.35
    propionitrile 1084.58
    vinylene carbonate 733.99
    1,1,2-trichlorotrifluoroethane 953.48
    DMS 426.37
    cumene 244.4
    2-octanol 308.27
    2-hexanone 678.84
    octyl acetate 326.93
    limonene 334.2
    1,2-dimethoxyethane 1099.06
    ethyl orthosilicate 238.83
    tributyl phosphate 246.04
    diacetone alcohol 454.14
    N,N-dimethylaniline 369.16
    acrylonitrile 1308.61
    aniline 582.83
    1,3-propanediol 651.08
    bromobenzene 800.82
    dibromomethane 1998.37
    1,1,2,2-tetrachloroethane 1803.65
    2-methyl-cyclohexyl acetate 386.41
    tetrabutyl urea 287.63
    diisobutyl methanol 214.14
    2-phenylethanol 447.73
    styrene 438.01
    dioctyl adipate 347.86
    dimethyl sulfate 264.24
    ethyl butyrate 549.66
    methyl lactate 232.12
    butyl lactate 415.17
    diethyl carbonate 346.49
    propanediol butyl ether 427.34
    triethyl orthoformate 354.21
    p-tert-butyltoluene 204.04
    methyl 4-tert-butylbenzoate 402.29
    morpholine 1232.21
    tert-butylamine 760.06
    n-dodecanol 166.25
    dimethoxymethane 507.73
    ethylene carbonate 597.2
    cyrene 329.8
    2-ethoxyethyl acetate 650.79
    2-ethylhexyl acetate 493.2
    1,2,4-trichlorobenzene 809.34
    4-methylpyridine 1238.59
    dibutyl ether 600.98
    2,6-dimethyl-4-heptanol 214.14
    DEF 818.32
    dimethyl isosorbide 634.26
    tetrachloroethylene 1502.43
    eugenol 426.57
    triacetin 533.33
    span 80 416.65
    1,4-butanediol 312.47
    1,1-dichloroethane 1580.72
    2-methyl-1-pentanol 603.19
    methyl formate 550.53
    2-methyl-1-butanol 753.86
    n-decane 111.22
    butyronitrile 1098.39
    3,7-dimethyl-1-octanol 390.5
    1-chlorooctane 341.11
    1-chlorotetradecane 118.98
    n-nonane 120.46
    undecane 74.41
    tert-butylcyclohexane 153.45
    cyclooctane 96.99
    cyclopentanol 859.65
    tetrahydropyran 1092.05
    tert-amyl methyl ether 598.48
    2,5,8-trioxanonane 657.27
    1-hexene 750.59
    2-isopropoxyethanol 526.94
    2,2,2-trifluoroethanol 450.74
    methyl butyrate 710.82

    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
Chloranthus spicatus flower head space Chloranthus spicatus (Thunb.) Makino, fam. Chloranthaceae 0.13%
Helichrysum italicum (France-Corsica) 8025-95-8 Helichyrsum italicum (Roth) G. Don ssp.italicum, fam. Asteraceae (Compos.) 0.2%