3-Methylpentan-2-One

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    565-61-7

    Molecular formula
    C6H12O

    SMILES
    CCC(C)C(=O)C

    Safety labels

    Flammable
    Flammable

    Retention indicies (RI)

    • Carbowax: 1016.0

  • Odor profile

    Fruity 86.3%
    Ketonic 76.62%
    Ethereal 66.84%
    Cheesy 50.0%
    Fermented 45.29%
    Herbal 44.8%
    Pungent 41.63%
    Solvent 39.28%
    Mint 38.92%
    Camphoreous 36.67%

    Scent© AI

  • Properties

    XLogP3-AA
    1.3

    Molecular weight
    100.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    118°C

    Flash point est.
    17.36 ˚C

  • Synonyms

    • 3-Methyl-2-pentanone
    • 565-61-7
    • 3-METHYLPENTAN-2-ONE
    • Methyl sec-butyl ketone
    • 2-Pentanone, 3-methyl-
    • sec-Butyl methyl ketone
    • Methyl 1-methylpropyl ketone
    • EINECS 209-282-1
    • NSC 66492
    • DTXSID4021634
    • 3-methyl-pentan-2-one
    • DTXCID801634
    • UIHCLUNTQKBZGK-UHFFFAOYSA-
    • EC 209-282-1
    • NSC-66492
    • (3R)-3-methylpentan-2-one
    • MFCD00009336
    • methylethylacetone
    • 3Methylpentan2one
    • 2Pentanone, 3methyl
    • Methyl secbutyl ketone
    • secButyl methyl ketone
    • sec-C4H9COCH3
    • Methyl 1methylpropyl ketone
    • S6QAE3S2Z8
    • SCHEMBL93407
    • 3-Methyl-2-pentanone, 99%
    • CHEMBL3182903
    • (+/-)-3-Methyl-2-pentanone
    • CHEBI:195650
    • 2695-53-6
    • 3-Methyl-2-pentanone, (+/-)-
    • 57968-72-6
    • NSC66492
    • Tox21_200530
    • LMFA12000027
    • AKOS009031605
    • NCGC00248679-01
    • NCGC00258084-01
    • AS-31209
    • CAS-565-61-7
    • DB-052938
    • M0388
    • NS00004347
    • EN300-19776
    • Q15720827
    • 209-282-1

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1395.12
    methanol 1770.03
    isopropanol 1075.25
    water 12.11
    ethyl acetate 611.17
    n-propanol 1044.12
    acetone 661.16
    n-butanol 986.06
    acetonitrile 929.4
    DMF 545.92
    toluene 301.31
    isobutanol 782.65
    1,4-dioxane 1321.82
    methyl acetate 606.55
    THF 1346.14
    2-butanone 654.05
    n-pentanol 712.18
    sec-butanol 967.9
    n-hexane 339.07
    ethylene glycol 242.6
    NMP 749.71
    cyclohexane 261.3
    DMSO 523.04
    n-butyl acetate 669.88
    n-octanol 430.6
    chloroform 2439.92
    n-propyl acetate 411.29
    acetic acid 1143.68
    dichloromethane 1700.2
    cyclohexanone 946.83
    propylene glycol 328.1
    isopropyl acetate 364.33
    DMAc 494.08
    2-ethoxyethanol 638.16
    isopentanol 804.24
    n-heptane 170.59
    ethyl formate 423.63
    1,2-dichloroethane 778.3
    n-hexanol 877.44
    2-methoxyethanol 869.7
    isobutyl acetate 273.15
    tetrachloromethane 647.59
    n-pentyl acetate 459.92
    transcutol 2053.36
    n-heptanol 418.09
    ethylbenzene 210.69
    MIBK 302.69
    2-propoxyethanol 844.7
    tert-butanol 1265.49
    MTBE 835.24
    2-butoxyethanol 549.78
    propionic acid 799.58
    o-xylene 226.81
    formic acid 412.96
    diethyl ether 779.57
    m-xylene 200.19
    p-xylene 301.13
    chlorobenzene 534.15
    dimethyl carbonate 88.45
    n-octane 70.2
    formamide 413.17
    cyclopentanone 901.93
    2-pentanone 475.71
    anisole 393.01
    cyclopentyl methyl ether 594.52
    gamma-butyrolactone 990.3
    1-methoxy-2-propanol 595.51
    pyridine 910.26
    3-pentanone 356.29
    furfural 885.5
    n-dodecane 43.8
    diethylene glycol 542.8
    diisopropyl ether 237.87
    tert-amyl alcohol 1072.29
    acetylacetone 424.43
    n-hexadecane 47.93
    acetophenone 315.63
    methyl propionate 335.76
    isopentyl acetate 560.92
    trichloroethylene 1469.16
    n-nonanol 355.08
    cyclohexanol 800.85
    benzyl alcohol 376.1
    2-ethylhexanol 528.21
    isooctanol 323.55
    dipropyl ether 433.36
    1,2-dichlorobenzene 450.83
    ethyl lactate 169.69
    propylene carbonate 509.9
    n-methylformamide 463.98
    2-pentanol 666.1
    n-pentane 219.76
    1-propoxy-2-propanol 626.53
    1-methoxy-2-propyl acetate 403.95
    2-(2-methoxypropoxy) propanol 451.97
    mesitylene 134.81
    ε-caprolactone 844.29
    p-cymene 171.1
    epichlorohydrin 972.41
    1,1,1-trichloroethane 1052.64
    2-aminoethanol 539.9
    morpholine-4-carbaldehyde 842.82
    sulfolane 796.34
    2,2,4-trimethylpentane 114.83
    2-methyltetrahydrofuran 1330.22
    n-hexyl acetate 642.27
    isooctane 75.93
    2-(2-butoxyethoxy)ethanol 662.89
    sec-butyl acetate 300.02
    tert-butyl acetate 369.27
    decalin 122.24
    glycerin 367.65
    diglyme 959.42
    acrylic acid 578.55
    isopropyl myristate 201.34
    n-butyric acid 955.43
    acetyl acetate 350.71
    di(2-ethylhexyl) phthalate 187.14
    ethyl propionate 318.11
    nitromethane 948.03
    1,2-diethoxyethane 767.62
    benzonitrile 602.07
    trioctyl phosphate 139.26
    1-bromopropane 701.5
    gamma-valerolactone 1058.74
    n-decanol 235.53
    triethyl phosphate 162.03
    4-methyl-2-pentanol 349.31
    propionitrile 740.24
    vinylene carbonate 479.35
    1,1,2-trichlorotrifluoroethane 673.11
    DMS 307.81
    cumene 172.68
    2-octanol 322.3
    2-hexanone 503.88
    octyl acetate 262.47
    limonene 284.1
    1,2-dimethoxyethane 855.24
    ethyl orthosilicate 181.06
    tributyl phosphate 183.07
    diacetone alcohol 423.15
    N,N-dimethylaniline 248.3
    acrylonitrile 722.47
    aniline 478.53
    1,3-propanediol 686.68
    bromobenzene 503.21
    dibromomethane 1231.17
    1,1,2,2-tetrachloroethane 1181.1
    2-methyl-cyclohexyl acetate 327.23
    tetrabutyl urea 197.22
    diisobutyl methanol 243.55
    2-phenylethanol 437.49
    styrene 261.63
    dioctyl adipate 256.05
    dimethyl sulfate 139.53
    ethyl butyrate 401.22
    methyl lactate 177.27
    butyl lactate 318.13
    diethyl carbonate 241.08
    propanediol butyl ether 466.54
    triethyl orthoformate 288.89
    p-tert-butyltoluene 165.97
    methyl 4-tert-butylbenzoate 294.21
    morpholine 1383.89
    tert-butylamine 915.43
    n-dodecanol 167.11
    dimethoxymethane 299.82
    ethylene carbonate 407.54
    cyrene 300.2
    2-ethoxyethyl acetate 498.88
    2-ethylhexyl acetate 447.58
    1,2,4-trichlorobenzene 532.96
    4-methylpyridine 839.45
    dibutyl ether 472.81
    2,6-dimethyl-4-heptanol 243.55
    DEF 486.0
    dimethyl isosorbide 556.33
    tetrachloroethylene 953.21
    eugenol 315.21
    triacetin 389.9
    span 80 455.97
    1,4-butanediol 313.42
    1,1-dichloroethane 1050.56
    2-methyl-1-pentanol 676.18
    methyl formate 274.65
    2-methyl-1-butanol 799.99
    n-decane 85.07
    butyronitrile 773.86
    3,7-dimethyl-1-octanol 405.39
    1-chlorooctane 266.63
    1-chlorotetradecane 95.96
    n-nonane 91.32
    undecane 57.25
    tert-butylcyclohexane 138.81
    cyclooctane 81.84
    cyclopentanol 849.84
    tetrahydropyran 1229.36
    tert-amyl methyl ether 560.09
    2,5,8-trioxanonane 589.94
    1-hexene 623.12
    2-isopropoxyethanol 474.65
    2,2,2-trifluoroethanol 308.69
    methyl butyrate 439.91

    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
Patchouli (China) 1 8014-09-3 Pogostemon cablin Benth., fam. Lamiaceae (Labiatae) 0.01%