Methylpropanediol

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  • Identifiers

    CAS number
    2163-42-0

    Molecular formula
    C4H10O2

    SMILES
    CC(CO)CO

  • Odor profile

    Fragrance
    Alcoholic 56.3%
    Fermented 47.94%
    Ethereal 43.7%
    Odorless 40.28%
    Fruity 37.48%
    Oily 37.35%
    Solvent 37.07%
    Sweet 36.68%
    Pungent 27.75%
    Fishy 25.64%

     

    Flavor
    Bitter 49.86%
    Alcoholic 48.52%
    Odorless 44.73%
    Sweet 44.62%
    Musty 33.8%
    Pungent 30.38%
    Fusel 29.5%
    Fruit 28.74%
    Very slight 26.61%
    Wine 25.17%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.3

    pKa est.
    7.83 (neutral)

    Molecular weight
    90.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • -91 °C

    Boiling point

    • 211 °C

    Flash point

    • 109.87 ˚C est.
    • 127 °C
    • 127 °C (261 °F) - closed cup

    Solubility expt.

    • In water, greater than or equal to 3000 mg/L at 25 °C

  • Synonyms

    • 2-Methyl-1,3-propanediol
    • 2163-42-0
    • 2-Methylpropane-1,3-diol
    • methylpropanediol
    • 1,3-Propanediol, 2-methyl-
    • 1,3-Dihydroxy-2-methylpropane
    • N8F53B3R4R
    • .BETA.-HYDROXYISOBUTANOL
    • DTXSID3029231
    • Propane-1,3-diol, 2-methyl-
    • HSDB 7267
    • MP diol glycol
    • 2-Methyl-1,3-propandiol (b-Hydroxyisobutanol)
    • MP Diol
    • 1,3-isobutanediol
    • MFCD00082586
    • 1,3Propanediol, 2methyl
    • 2-methypropan-1,3-diol
    • 2-methyl-1,3-propandiol
    • 2-methylpropan-1,3-diol
    • BETA-HYDROXYISOBUTANOL
    • UNII-N8F53B3R4R
    • 1,3-propanediol, 2-methyl
    • 2-methyl-propane-1,3-diol
    • DTXCID609231
    • METHYLPROPANEDIOL [INCI]
    • CHEMBL3183047
    • QWGRWMMWNDWRQN-UHFFFAOYSA-
    • 2-Methyl-1,3-propanediol (MPO)
    • 2-Methyl-1,3-propanediol, 99%
    • LESONEL FORMING FEMININE WASH
    • Tox21_200047
    • AKOS015856381
    • FM34459
    • SB83782
    • NCGC00248505-01
    • NCGC00257601-01
    • CAS-2163-42-0
    • 1,3-PROPANEDIOL, 2-METHYL-[HSDB]
    • CS-0021060
    • M1114
    • NS00003931
    • 1,3-PROPANEDIOL, 2-METHYL- [HSDB]
    • EN300-85197
    • D71170
    • 2-Methyl-1,3-propandiol (beta-Hydroxyisobutanol)
    • Q27284705
    • F0001-0772
    • InChI=1/C4H10O2/c1-4(2-5)3-6/h4-6H,2-3H2,1H3
    • 412-350-5
    • 606-809-0
    • 928-935-8

  • Applications

    Methylpropanediol (CAS 2163-42-0) is used as a processing solvent and chemical intermediate in industrial manufacturing, functioning as a co-solvent or reactive solvent in coatings, inks, cleaners, and adhesive formulations; it also serves as a polyol component in polyurethane and other polymer systems, enabling chain extension or plasticization in plastics and coatings; in cosmetics and personal care, it can act as a humectant and solvent; in chemical manufacturing it is used as an intermediate to access specialty chemicals; it may also be employed as a plasticizer or co-solvent in polymer and adhesive formulations. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 205.01
    methanol 386.34
    isopropanol 113.33
    water 159.23
    ethyl acetate 18.78
    n-propanol 174.09
    acetone 23.95
    n-butanol 170.68
    acetonitrile 20.91
    DMF 82.55
    toluene 1.7
    isobutanol 107.65
    1,4-dioxane 52.43
    methyl acetate 21.46
    THF 113.4
    2-butanone 26.26
    n-pentanol 59.44
    sec-butanol 104.79
    n-hexane 3.26
    ethylene glycol 185.0
    NMP 127.56
    cyclohexane 4.98
    DMSO 139.4
    n-butyl acetate 22.66
    n-octanol 27.65
    chloroform 30.53
    n-propyl acetate 15.34
    acetic acid 413.5
    dichloromethane 21.74
    cyclohexanone 52.9
    propylene glycol 172.15
    isopropyl acetate 11.09
    DMAc 61.41
    2-ethoxyethanol 99.71
    isopentanol 91.01
    n-heptane 6.3
    ethyl formate 36.07
    1,2-dichloroethane 13.51
    n-hexanol 61.56
    2-methoxyethanol 233.48
    isobutyl acetate 10.08
    tetrachloromethane 14.81
    n-pentyl acetate 17.93
    transcutol 169.52
    n-heptanol 40.58
    ethylbenzene 1.46
    MIBK 14.98
    2-propoxyethanol 101.0
    tert-butanol 104.47
    MTBE 19.14
    2-butoxyethanol 80.57
    propionic acid 171.47
    o-xylene 2.83
    formic acid 429.65
    diethyl ether 19.19
    m-xylene 2.32
    p-xylene 2.59
    chlorobenzene 5.18
    dimethyl carbonate 6.79
    n-octane 2.14
    formamide 260.05
    cyclopentanone 76.34
    2-pentanone 22.59
    anisole 6.53
    cyclopentyl methyl ether 33.75
    gamma-butyrolactone 100.79
    1-methoxy-2-propanol 113.78
    pyridine 22.54
    3-pentanone 14.83
    furfural 86.04
    n-dodecane 1.31
    diethylene glycol 130.74
    diisopropyl ether 5.99
    tert-amyl alcohol 89.39
    acetylacetone 18.42
    n-hexadecane 1.32
    acetophenone 10.23
    methyl propionate 19.19
    isopentyl acetate 18.7
    trichloroethylene 27.4
    n-nonanol 22.83
    cyclohexanol 82.74
    benzyl alcohol 16.73
    2-ethylhexanol 30.88
    isooctanol 30.66
    dipropyl ether 18.66
    1,2-dichlorobenzene 6.21
    ethyl lactate 20.93
    propylene carbonate 49.03
    n-methylformamide 103.09
    2-pentanol 66.19
    n-pentane 4.95
    1-propoxy-2-propanol 71.29
    1-methoxy-2-propyl acetate 22.39
    2-(2-methoxypropoxy) propanol 44.66
    mesitylene 2.42
    ε-caprolactone 55.22
    p-cymene 4.32
    epichlorohydrin 54.49
    1,1,1-trichloroethane 12.16
    2-aminoethanol 255.06
    morpholine-4-carbaldehyde 95.45
    sulfolane 142.8
    2,2,4-trimethylpentane 3.5
    2-methyltetrahydrofuran 65.48
    n-hexyl acetate 21.82
    isooctane 2.29
    2-(2-butoxyethoxy)ethanol 71.07
    sec-butyl acetate 8.93
    tert-butyl acetate 14.94
    decalin 1.91
    glycerin 263.45
    diglyme 93.15
    acrylic acid 162.12
    isopropyl myristate 8.35
    n-butyric acid 176.58
    acetyl acetate 13.26
    di(2-ethylhexyl) phthalate 13.76
    ethyl propionate 11.08
    nitromethane 134.77
    1,2-diethoxyethane 21.27
    benzonitrile 12.09
    trioctyl phosphate 12.91
    1-bromopropane 9.11
    gamma-valerolactone 100.09
    n-decanol 15.26
    triethyl phosphate 12.31
    4-methyl-2-pentanol 29.39
    propionitrile 22.73
    vinylene carbonate 36.37
    1,1,2-trichlorotrifluoroethane 112.97
    DMS 10.37
    cumene 2.42
    2-octanol 19.69
    2-hexanone 15.6
    octyl acetate 12.18
    limonene 8.27
    1,2-dimethoxyethane 57.95
    ethyl orthosilicate 12.66
    tributyl phosphate 13.12
    diacetone alcohol 44.87
    N,N-dimethylaniline 6.66
    acrylonitrile 27.37
    aniline 16.18
    1,3-propanediol 297.89
    bromobenzene 3.01
    dibromomethane 14.86
    1,1,2,2-tetrachloroethane 27.64
    2-methyl-cyclohexyl acetate 18.09
    tetrabutyl urea 15.66
    diisobutyl methanol 15.71
    2-phenylethanol 18.7
    styrene 1.67
    dioctyl adipate 14.89
    dimethyl sulfate 16.76
    ethyl butyrate 18.9
    methyl lactate 32.18
    butyl lactate 30.5
    diethyl carbonate 10.77
    propanediol butyl ether 73.64
    triethyl orthoformate 16.23
    p-tert-butyltoluene 4.67
    methyl 4-tert-butylbenzoate 23.68
    morpholine 97.21
    tert-butylamine 50.77
    n-dodecanol 10.83
    dimethoxymethane 27.79
    ethylene carbonate 29.46
    cyrene 48.07
    2-ethoxyethyl acetate 20.2
    2-ethylhexyl acetate 13.81
    1,2,4-trichlorobenzene 9.01
    4-methylpyridine 12.94
    dibutyl ether 12.48
    2,6-dimethyl-4-heptanol 15.71
    DEF 35.76
    dimethyl isosorbide 57.46
    tetrachloroethylene 31.77
    eugenol 31.0
    triacetin 23.52
    span 80 56.26
    1,4-butanediol 100.13
    1,1-dichloroethane 9.87
    2-methyl-1-pentanol 42.17
    methyl formate 48.85
    2-methyl-1-butanol 99.43
    n-decane 2.25
    butyronitrile 28.71
    3,7-dimethyl-1-octanol 21.9
    1-chlorooctane 6.68
    1-chlorotetradecane 2.66
    n-nonane 2.23
    undecane 1.62
    tert-butylcyclohexane 2.29
    cyclooctane 2.06
    cyclopentanol 122.51
    tetrahydropyran 45.73
    tert-amyl methyl ether 19.34
    2,5,8-trioxanonane 67.96
    1-hexene 6.56
    2-isopropoxyethanol 52.57
    2,2,2-trifluoroethanol 163.34
    methyl butyrate 19.88

    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