3-Methyl-2,3-pentanediol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    63521-37-9

    Molecular formula
    C6H14O2

    SMILES
    CCC(C)(C(C)O)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 37.06%
    Odorless 34.87%
    Creamy 33.69%
    Buttery 32.85%
    Sweet 29.63%
    Milky 26.54%
    Alcoholic 24.48%
    Mint 22.99%
    Dairy 22.94%
    Nutty 22.54%

     

    Flavor
    Fruity 60.97%
    Oily 32.65%
    Creamy 29.91%
    Fruit 28.44%
    Sweet 28.35%
    Odorless 25.66%
    Buttery 25.58%
    Onion 25.11%
    Mild 24.66%
    Tropical 24.41%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    9.51 (weak base)

    Molecular weight
    118.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    190°C

    Flash point

    • 79.88 ˚C est.

  • Synonyms

    • 3-Methylpentane-2,3-diol
    • 63521-37-9
    • 3-methyl-2,3-pentanediol
    • DTXSID60979743
    • RefChem:1068183
    • DTXCID901407032
    • 264-294-4
    • EINECS 264-294-4
    • 3-methyl-pentane-2,3-diol
    • SCHEMBL270883
    • SCHEMBL271235
    • SCHEMBL825422
    • SCHEMBL3168756
    • SCHEMBL5682492
    • SCHEMBL6573519
    • RLWWHEFTJSHFRN-UHFFFAOYSA-N
    • DB-304826
    • NS00054963
    • EN300-2007700
    • 63521-37-9

  • Applications

    3-Methyl-2,3-pentanediol (CAS 63521-37-9) is a C5 diol used as a solvent and reactive intermediate in industrial formulations. It is commonly evaluated as a component in polyurethane and polyester resin syntheses, acting as a diol extender in polymerization. It can function as a humectant and solvent in cosmetics and personal care formulations. It serves as a processing aid in coatings and inks. It may be used as a solvent or processing additive in household cleaning products and other industrial cleaners.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 623.1
    methanol 1086.93
    isopropanol 445.13
    water 93.59
    ethyl acetate 123.77
    n-propanol 447.96
    acetone 126.41
    n-butanol 416.44
    acetonitrile 138.47
    DMF 255.3
    toluene 24.9
    isobutanol 333.21
    1,4-dioxane 440.68
    methyl acetate 110.66
    THF 491.01
    2-butanone 123.44
    n-pentanol 245.59
    sec-butanol 369.63
    n-hexane 33.76
    ethylene glycol 330.73
    NMP 198.84
    cyclohexane 37.85
    DMSO 256.45
    n-butyl acetate 91.77
    n-octanol 157.03
    chloroform 173.08
    n-propyl acetate 70.65
    acetic acid 413.29
    dichloromethane 134.81
    cyclohexanone 176.7
    propylene glycol 309.39
    isopropyl acetate 88.04
    DMAc 208.91
    2-ethoxyethanol 428.58
    isopentanol 324.44
    n-heptane 34.57
    ethyl formate 124.55
    1,2-dichloroethane 83.07
    n-hexanol 295.46
    2-methoxyethanol 730.8
    isobutyl acetate 49.4
    tetrachloromethane 72.95
    n-pentyl acetate 87.7
    transcutol 638.52
    n-heptanol 183.11
    ethylbenzene 23.64
    MIBK 98.51
    2-propoxyethanol 386.15
    tert-butanol 546.7
    MTBE 259.53
    2-butoxyethanol 264.75
    propionic acid 260.77
    o-xylene 34.1
    formic acid 484.99
    diethyl ether 184.9
    m-xylene 29.97
    p-xylene 34.12
    chlorobenzene 40.46
    dimethyl carbonate 31.59
    n-octane 15.97
    formamide 405.95
    cyclopentanone 201.66
    2-pentanone 117.93
    anisole 75.48
    cyclopentyl methyl ether 178.26
    gamma-butyrolactone 218.91
    1-methoxy-2-propanol 408.28
    pyridine 104.63
    3-pentanone 74.75
    furfural 199.33
    n-dodecane 11.37
    diethylene glycol 399.84
    diisopropyl ether 74.86
    tert-amyl alcohol 467.32
    acetylacetone 108.7
    n-hexadecane 11.7
    acetophenone 63.11
    methyl propionate 86.27
    isopentyl acetate 94.7
    trichloroethylene 126.35
    n-nonanol 133.12
    cyclohexanol 243.82
    benzyl alcohol 90.91
    2-ethylhexanol 152.72
    isooctanol 143.47
    dipropyl ether 107.12
    1,2-dichlorobenzene 45.72
    ethyl lactate 64.3
    propylene carbonate 117.01
    n-methylformamide 228.46
    2-pentanol 257.39
    n-pentane 38.12
    1-propoxy-2-propanol 252.34
    1-methoxy-2-propyl acetate 106.15
    2-(2-methoxypropoxy) propanol 184.92
    mesitylene 28.24
    ε-caprolactone 174.6
    p-cymene 32.04
    epichlorohydrin 209.32
    1,1,1-trichloroethane 84.31
    2-aminoethanol 520.46
    morpholine-4-carbaldehyde 322.26
    sulfolane 244.77
    2,2,4-trimethylpentane 31.02
    2-methyltetrahydrofuran 307.22
    n-hexyl acetate 127.12
    isooctane 23.11
    2-(2-butoxyethoxy)ethanol 271.93
    sec-butyl acetate 56.52
    tert-butyl acetate 127.86
    decalin 20.33
    glycerin 458.15
    diglyme 392.84
    acrylic acid 204.34
    isopropyl myristate 54.78
    n-butyric acid 318.06
    acetyl acetate 69.87
    di(2-ethylhexyl) phthalate 57.08
    ethyl propionate 58.41
    nitromethane 255.68
    1,2-diethoxyethane 161.39
    benzonitrile 65.38
    trioctyl phosphate 52.07
    1-bromopropane 67.16
    gamma-valerolactone 286.71
    n-decanol 93.66
    triethyl phosphate 46.41
    4-methyl-2-pentanol 164.39
    propionitrile 124.83
    vinylene carbonate 94.51
    1,1,2-trichlorotrifluoroethane 238.07
    DMS 57.47
    cumene 29.65
    2-octanol 115.73
    2-hexanone 85.6
    octyl acetate 69.4
    limonene 54.7
    1,2-dimethoxyethane 364.79
    ethyl orthosilicate 54.34
    tributyl phosphate 52.5
    diacetone alcohol 206.21
    N,N-dimethylaniline 65.84
    acrylonitrile 117.3
    aniline 88.38
    1,3-propanediol 611.31
    bromobenzene 30.17
    dibromomethane 90.76
    1,1,2,2-tetrachloroethane 131.29
    2-methyl-cyclohexyl acetate 77.65
    tetrabutyl urea 58.21
    diisobutyl methanol 86.66
    2-phenylethanol 104.99
    styrene 23.72
    dioctyl adipate 69.86
    dimethyl sulfate 56.97
    ethyl butyrate 74.9
    methyl lactate 94.8
    butyl lactate 90.3
    diethyl carbonate 45.48
    propanediol butyl ether 225.83
    triethyl orthoformate 72.78
    p-tert-butyltoluene 35.12
    methyl 4-tert-butylbenzoate 102.14
    morpholine 476.3
    tert-butylamine 365.0
    n-dodecanol 69.41
    dimethoxymethane 177.67
    ethylene carbonate 91.35
    cyrene 140.02
    2-ethoxyethyl acetate 99.24
    2-ethylhexyl acetate 72.67
    1,2,4-trichlorobenzene 57.7
    4-methylpyridine 90.07
    dibutyl ether 89.57
    2,6-dimethyl-4-heptanol 86.66
    DEF 136.14
    dimethyl isosorbide 218.31
    tetrachloroethylene 136.41
    eugenol 114.71
    triacetin 98.72
    span 80 182.0
    1,4-butanediol 252.86
    1,1-dichloroethane 82.62
    2-methyl-1-pentanol 217.14
    methyl formate 132.12
    2-methyl-1-butanol 306.72
    n-decane 19.64
    butyronitrile 145.1
    3,7-dimethyl-1-octanol 133.49
    1-chlorooctane 55.08
    1-chlorotetradecane 23.03
    n-nonane 19.8
    undecane 14.08
    tert-butylcyclohexane 25.57
    cyclooctane 17.32
    cyclopentanol 299.78
    tetrahydropyran 280.67
    tert-amyl methyl ether 189.08
    2,5,8-trioxanonane 293.87
    1-hexene 65.36
    2-isopropoxyethanol 254.86
    2,2,2-trifluoroethanol 186.98
    methyl butyrate 84.72

    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