2-Butanone, 3-methoxy-3-methyl-

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    36687-98-6

    Molecular formula
    C6H12O2

    SMILES
    CC(=O)C(C)(C)OC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Ethereal 66.04%
    Fruity 56.51%
    Ketonic 50.49%
    Camphoreous 48.47%
    Mint 45.56%
    Solvent 37.58%
    Pungent 33.68%
    Fresh 32.35%
    Fermented 31.44%
    Herbal 28.83%

    Scent© AI

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    8.03 (weak base)

    Molecular weight
    116.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    125°C

    Flash point est.
    23.41 ˚C

  • Synonyms

    • 3-methoxy-3-methylbutan-2-one
    • 36687-98-6
    • 3-METHOXY-3-METHYL-2-BUTANONE
    • 2-Butanone, 3-methoxy-3-methyl-
    • 3-Methoxy-3-methyl-butan-2-one
    • 2-Butanone, 3-methoxy-3-methyl- (6CI,7CI,9CI)
    • DTXSID00190132
    • MFCD18813383
    • SCHEMBL1449319
    • DTXCID10112623
    • CHEBI:139061
    • 3-Methoxy-3-methyl-2-butanone #
    • AKOS017413444
    • s10204
    • 2-BUTANONE, 3-METHOXY-3-METHYL
    • DB-269866
    • CS-0312446
    • EN300-196652
    • Z1216835214

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1079.18
    methanol 1606.24
    isopropanol 935.75
    water 126.96
    ethyl acetate 529.0
    n-propanol 821.64
    acetone 672.67
    n-butanol 677.89
    acetonitrile 862.11
    DMF 804.81
    toluene 254.3
    isobutanol 628.34
    1,4-dioxane 1168.16
    methyl acetate 621.61
    THF 990.61
    2-butanone 593.43
    n-pentanol 422.03
    sec-butanol 829.59
    n-hexane 156.52
    ethylene glycol 328.11
    NMP 708.71
    cyclohexane 197.94
    DMSO 590.16
    n-butyl acetate 167.95
    n-octanol 183.88
    chloroform 1693.72
    n-propyl acetate 207.72
    acetic acid 929.06
    dichloromethane 1385.33
    cyclohexanone 564.83
    propylene glycol 343.62
    isopropyl acetate 274.45
    DMAc 786.91
    2-ethoxyethanol 724.12
    isopentanol 476.18
    n-heptane 75.79
    ethyl formate 385.3
    1,2-dichloroethane 665.85
    n-hexanol 316.53
    2-methoxyethanol 1146.18
    isobutyl acetate 118.26
    tetrachloromethane 575.52
    n-pentyl acetate 152.2
    transcutol 897.12
    n-heptanol 171.87
    ethylbenzene 170.85
    MIBK 195.13
    2-propoxyethanol 469.44
    tert-butanol 1105.62
    MTBE 780.16
    2-butoxyethanol 282.03
    propionic acid 621.29
    o-xylene 240.21
    formic acid 774.4
    diethyl ether 729.43
    m-xylene 171.16
    p-xylene 267.83
    chlorobenzene 327.8
    dimethyl carbonate 131.72
    n-octane 35.93
    formamide 914.35
    cyclopentanone 556.1
    2-pentanone 372.24
    anisole 364.7
    cyclopentyl methyl ether 480.44
    gamma-butyrolactone 649.41
    1-methoxy-2-propanol 657.47
    pyridine 625.61
    3-pentanone 361.07
    furfural 659.99
    n-dodecane 22.08
    diethylene glycol 406.86
    diisopropyl ether 197.45
    tert-amyl alcohol 992.29
    acetylacetone 355.62
    n-hexadecane 24.55
    acetophenone 286.48
    methyl propionate 382.37
    isopentyl acetate 157.31
    trichloroethylene 1101.68
    n-nonanol 167.66
    cyclohexanol 567.04
    benzyl alcohol 299.47
    2-ethylhexanol 172.66
    isooctanol 136.19
    dipropyl ether 210.52
    1,2-dichlorobenzene 321.94
    ethyl lactate 133.95
    propylene carbonate 338.81
    n-methylformamide 652.55
    2-pentanol 469.71
    n-pentane 159.7
    1-propoxy-2-propanol 274.07
    1-methoxy-2-propyl acetate 195.06
    2-(2-methoxypropoxy) propanol 251.04
    mesitylene 114.78
    ε-caprolactone 535.0
    p-cymene 97.15
    epichlorohydrin 742.47
    1,1,1-trichloroethane 876.2
    2-aminoethanol 617.8
    morpholine-4-carbaldehyde 826.6
    sulfolane 607.79
    2,2,4-trimethylpentane 83.74
    2-methyltetrahydrofuran 916.47
    n-hexyl acetate 235.68
    isooctane 39.75
    2-(2-butoxyethoxy)ethanol 314.37
    sec-butyl acetate 164.08
    tert-butyl acetate 290.87
    decalin 85.81
    glycerin 436.28
    diglyme 621.16
    acrylic acid 505.7
    isopropyl myristate 93.31
    n-butyric acid 549.65
    acetyl acetate 308.98
    di(2-ethylhexyl) phthalate 87.27
    ethyl propionate 227.78
    nitromethane 1126.2
    1,2-diethoxyethane 316.4
    benzonitrile 314.08
    trioctyl phosphate 59.3
    1-bromopropane 521.63
    gamma-valerolactone 804.59
    n-decanol 113.3
    triethyl phosphate 109.52
    4-methyl-2-pentanol 201.5
    propionitrile 573.62
    vinylene carbonate 323.87
    1,1,2-trichlorotrifluoroethane 671.75
    DMS 182.81
    cumene 137.06
    2-octanol 134.09
    2-hexanone 244.71
    octyl acetate 114.97
    limonene 144.48
    1,2-dimethoxyethane 838.5
    ethyl orthosilicate 115.1
    tributyl phosphate 74.65
    diacetone alcohol 318.87
    N,N-dimethylaniline 265.78
    acrylonitrile 593.9
    aniline 384.84
    1,3-propanediol 695.82
    bromobenzene 310.41
    dibromomethane 951.25
    1,1,2,2-tetrachloroethane 969.23
    2-methyl-cyclohexyl acetate 150.34
    tetrabutyl urea 94.17
    diisobutyl methanol 99.88
    2-phenylethanol 221.31
    styrene 198.3
    dioctyl adipate 128.81
    dimethyl sulfate 223.95
    ethyl butyrate 170.82
    methyl lactate 203.75
    butyl lactate 118.06
    diethyl carbonate 129.56
    propanediol butyl ether 221.83
    triethyl orthoformate 143.5
    p-tert-butyltoluene 96.63
    methyl 4-tert-butylbenzoate 216.88
    morpholine 1223.92
    tert-butylamine 775.36
    n-dodecanol 83.47
    dimethoxymethane 482.38
    ethylene carbonate 276.92
    cyrene 257.89
    2-ethoxyethyl acetate 214.45
    2-ethylhexyl acetate 133.46
    1,2,4-trichlorobenzene 402.81
    4-methylpyridine 563.89
    dibutyl ether 188.67
    2,6-dimethyl-4-heptanol 99.88
    DEF 477.85
    dimethyl isosorbide 354.84
    tetrachloroethylene 792.79
    eugenol 204.11
    triacetin 222.14
    span 80 200.66
    1,4-butanediol 272.78
    1,1-dichloroethane 843.11
    2-methyl-1-pentanol 361.27
    methyl formate 430.91
    2-methyl-1-butanol 547.62
    n-decane 43.74
    butyronitrile 506.24
    3,7-dimethyl-1-octanol 168.24
    1-chlorooctane 128.49
    1-chlorotetradecane 50.67
    n-nonane 44.84
    undecane 28.89
    tert-butylcyclohexane 85.55
    cyclooctane 62.29
    cyclopentanol 600.78
    tetrahydropyran 883.79
    tert-amyl methyl ether 582.45
    2,5,8-trioxanonane 419.77
    1-hexene 284.74
    2-isopropoxyethanol 428.45
    2,2,2-trifluoroethanol 471.18
    methyl butyrate 283.28

    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
Michelia alba flower headspace (China) Michelia alba DC., fam. Magnoliaceae 0.13%