Methoxymethylbutanol

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  • Identifiers

    CAS number
    56539-66-3

    Molecular formula
    C6H14O2

    SMILES
    CC(C)(CCO)OC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Ethereal 76.54%
    Fruity 73.49%
    Fermented 68.0%
    Alcoholic 65.51%
    Green 48.91%
    Solvent 48.5%
    Camphoreous 37.96%
    Pungent 36.87%
    Mint 36.77%
    Winey 35.12%

    Scent© AI

  • Properties

    XLogP3-AA
    0.4

    Molecular weight
    118.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    169°C

    Flash point est.
    50.91 ˚C

  • Synonyms

    • 3-Methoxy-3-methylbutan-1-ol
    • 56539-66-3
    • 3-Methoxy-3-methyl-1-butanol
    • 3-Methyl-3-methoxybutanol
    • 3-Methoxy-3-methylbutanol
    • METHOXYMETHYLBUTANOL
    • 1-Butanol, 3-methoxy-3-methyl-
    • Solfit S 110
    • 3-methyl-3-methoxy-1-butanol
    • 3-Methxoy-3-methylbutan-1-ol
    • DTXSID8044389
    • 3-methyl-3-(methyloxy)butan-1-ol
    • 3-Methyl-3-methoxy-1-hydroxybutane
    • EINECS 260-252-4
    • 366754K2K1
    • DTXCID6024389
    • MFKRHJVUCZRDTF-UHFFFAOYSA-
    • EC 260-252-4
    • Finetop J 210; 3-Methyl-3-(methyloxy)butan-1-ol; Solfit MMB
    • 77908-12-4
    • UNII-366754K2K1
    • MFCD00044771
    • SCHEMBL64765
    • 3-methoxy-3-methylbutane-1-ol
    • CHEMBL3188023
    • 3-Methoxy-3-methyl-1-butanol #
    • METHOXYMETHYLBUTANOL [INCI]
    • GCA53966
    • Tox21_302115
    • AKOS015851586
    • NCGC00255903-01
    • 3-Methoxy-3-methyl-1-butanol, >=98%
    • LS-13218
    • CAS-56539-66-3
    • DB-052932
    • DB-183561
    • CS-0132453
    • M0695
    • NS00004012
    • E81608
    • EN300-131950
    • Q27256531
    • F0001-1482
    • 260-252-4
    • MMB

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1550.41
    methanol 2111.47
    isopropanol 1277.71
    water 294.92
    ethyl acetate 320.11
    n-propanol 1155.75
    acetone 419.3
    n-butanol 840.03
    acetonitrile 416.47
    DMF 789.32
    toluene 96.84
    isobutanol 731.63
    1,4-dioxane 801.27
    methyl acetate 395.7
    THF 727.25
    2-butanone 359.25
    n-pentanol 395.18
    sec-butanol 937.04
    n-hexane 65.78
    ethylene glycol 985.28
    NMP 554.08
    cyclohexane 94.97
    DMSO 490.36
    n-butyl acetate 116.37
    n-octanol 199.36
    chloroform 812.37
    n-propyl acetate 108.78
    acetic acid 1041.66
    dichloromethane 547.44
    cyclohexanone 374.29
    propylene glycol 1271.74
    isopropyl acetate 151.96
    DMAc 628.83
    2-ethoxyethanol 644.63
    isopentanol 437.79
    n-heptane 58.58
    ethyl formate 251.82
    1,2-dichloroethane 278.31
    n-hexanol 493.57
    2-methoxyethanol 1350.52
    isobutyl acetate 68.76
    tetrachloromethane 274.2
    n-pentyl acetate 93.77
    transcutol 683.25
    n-heptanol 209.09
    ethylbenzene 47.33
    MIBK 118.4
    2-propoxyethanol 639.26
    tert-butanol 1070.51
    MTBE 367.88
    2-butoxyethanol 297.05
    propionic acid 871.68
    o-xylene 94.41
    formic acid 922.01
    diethyl ether 358.64
    m-xylene 82.47
    p-xylene 68.03
    chlorobenzene 122.38
    dimethyl carbonate 92.88
    n-octane 21.9
    formamide 570.55
    cyclopentanone 390.55
    2-pentanone 238.28
    anisole 137.75
    cyclopentyl methyl ether 305.98
    gamma-butyrolactone 448.86
    1-methoxy-2-propanol 819.4
    pyridine 293.19
    3-pentanone 197.15
    furfural 396.63
    n-dodecane 17.78
    diethylene glycol 708.2
    diisopropyl ether 81.25
    tert-amyl alcohol 799.78
    acetylacetone 192.39
    n-hexadecane 18.56
    acetophenone 113.28
    methyl propionate 283.29
    isopentyl acetate 96.16
    trichloroethylene 437.18
    n-nonanol 166.78
    cyclohexanol 598.67
    benzyl alcohol 181.71
    2-ethylhexanol 184.78
    isooctanol 142.33
    dipropyl ether 147.27
    1,2-dichlorobenzene 120.62
    ethyl lactate 129.71
    propylene carbonate 219.9
    n-methylformamide 592.25
    2-pentanol 494.0
    n-pentane 92.77
    1-propoxy-2-propanol 371.6
    1-methoxy-2-propyl acetate 151.44
    2-(2-methoxypropoxy) propanol 217.99
    mesitylene 55.9
    ε-caprolactone 338.37
    p-cymene 54.51
    epichlorohydrin 401.01
    1,1,1-trichloroethane 345.35
    2-aminoethanol 1347.09
    morpholine-4-carbaldehyde 630.94
    sulfolane 423.95
    2,2,4-trimethylpentane 48.24
    2-methyltetrahydrofuran 527.5
    n-hexyl acetate 168.04
    isooctane 26.84
    2-(2-butoxyethoxy)ethanol 296.56
    sec-butyl acetate 81.25
    tert-butyl acetate 149.36
    decalin 32.37
    glycerin 1330.98
    diglyme 426.8
    acrylic acid 687.81
    isopropyl myristate 64.29
    n-butyric acid 641.01
    acetyl acetate 155.59
    di(2-ethylhexyl) phthalate 73.89
    ethyl propionate 117.67
    nitromethane 702.61
    1,2-diethoxyethane 156.93
    benzonitrile 141.96
    trioctyl phosphate 59.7
    1-bromopropane 233.79
    gamma-valerolactone 559.82
    n-decanol 118.75
    triethyl phosphate 65.12
    4-methyl-2-pentanol 188.14
    propionitrile 373.16
    vinylene carbonate 208.07
    1,1,2-trichlorotrifluoroethane 561.76
    DMS 103.39
    cumene 46.78
    2-octanol 134.08
    2-hexanone 121.96
    octyl acetate 92.33
    limonene 89.44
    1,2-dimethoxyethane 478.39
    ethyl orthosilicate 70.04
    tributyl phosphate 61.55
    diacetone alcohol 268.51
    N,N-dimethylaniline 109.57
    acrylonitrile 382.02
    aniline 282.56
    1,3-propanediol 1188.65
    bromobenzene 95.6
    dibromomethane 409.84
    1,1,2,2-tetrachloroethane 421.4
    2-methyl-cyclohexyl acetate 95.04
    tetrabutyl urea 77.46
    diisobutyl methanol 94.32
    2-phenylethanol 177.56
    styrene 54.84
    dioctyl adipate 86.94
    dimethyl sulfate 151.58
    ethyl butyrate 97.04
    methyl lactate 278.3
    butyl lactate 115.42
    diethyl carbonate 65.31
    propanediol butyl ether 293.65
    triethyl orthoformate 84.03
    p-tert-butyltoluene 61.13
    methyl 4-tert-butylbenzoate 137.83
    morpholine 966.94
    tert-butylamine 648.03
    n-dodecanol 88.76
    dimethoxymethane 337.26
    ethylene carbonate 187.29
    cyrene 189.93
    2-ethoxyethyl acetate 123.45
    2-ethylhexyl acetate 79.6
    1,2,4-trichlorobenzene 154.17
    4-methylpyridine 256.49
    dibutyl ether 102.05
    2,6-dimethyl-4-heptanol 94.32
    DEF 322.88
    dimethyl isosorbide 241.16
    tetrachloroethylene 353.21
    eugenol 161.01
    triacetin 152.16
    span 80 235.01
    1,4-butanediol 462.48
    1,1-dichloroethane 382.6
    2-methyl-1-pentanol 243.05
    methyl formate 333.07
    2-methyl-1-butanol 526.46
    n-decane 31.07
    butyronitrile 333.93
    3,7-dimethyl-1-octanol 145.96
    1-chlorooctane 86.82
    1-chlorotetradecane 35.11
    n-nonane 31.38
    undecane 22.33
    tert-butylcyclohexane 39.37
    cyclooctane 30.73
    cyclopentanol 681.58
    tetrahydropyran 587.68
    tert-amyl methyl ether 278.92
    2,5,8-trioxanonane 299.66
    1-hexene 131.36
    2-isopropoxyethanol 343.69
    2,2,2-trifluoroethanol 485.52
    methyl butyrate 148.55

    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