2,4-Pentanediol, 2-methyl-, 2,4-diacetate

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  • Identifiers

    CAS number
    1637-24-7

    Molecular formula
    C10H18O4

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 82.37%
    Fresh 49.19%
    Apple 32.94%
    Floral 29.92%
    Ethereal 28.93%
    Green 27.2%
    Sweet 26.49%
    Grape 26.49%
    Tropical 25.9%
    Herbal 25.53%

     

    Flavor
    Sweet 64.41%
    Fruity 63.75%
    Herbal 45.65%
    Tropical 43.63%
    Citrus 43.09%
    Lavender 36.73%
    Bitter 36.21%
    Banana 34.89%
    Green 32.41%
    Fruit 31.18%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    7.29 (neutral)

    Molecular weight
    202.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    212°C

    Flash point

    • 95.8 ˚C est.

  • Synonyms

    • 2-Methyl-2,4-pentanediol diacetate
    • 1637-24-7
    • 2,4-Pentanediol, 2-methyl-, diacetate
    • EINECS 216-667-8
    • NSC 50325
    • BRN 1708624
    • AI3-32415
    • 2,4-Pentanediol, 2-methyl-, 2,4-diacetate
    • Acetic acid, 2-methyl-2,4-pentanediol diester
    • 2-Methyl-2,4-pentanediol, diacetate
    • DTXSID50883704
    • 3-02-00-00321 (Beilstein Handbook Reference)
    • RefChem:82640
    • DTXCID301023202
    • 2-Methylpentane-2,4-diyl diacetate
    • Acetic acid, hexylene glycol
    • (4-acetyloxy-4-methylpentan-2-yl) acetate
    • 2, 2-methyl-, diacetate
    • SCHEMBL15745543
    • Acetic acid,4-pentanediol diester
    • PTPLKZHLDXVIBT-UHFFFAOYSA-N
    • NSC50325
    • NSC-50325
    • WLN: 1VOY1&1X1&1&OV1
    • NS00049084
    • 1637-24-7

  • Applications

    2,4-Pentanediol, 2-methyl-, 2,4-diacetate is commonly used as an intermediate and solvent in industrial manufacturing; it also serves as a plasticizer and processing aid in polymers, coatings, and inks. In perfumery and cosmetics, it can act as a fragrance precursor or fixative, helping control volatility and extend fragrance life, while in household products it may function as a solvent or formulation solvent. The compound may also be employed as a solvent and precursor for synthesizing fragrance ingredients and other specialty chemicals in industrial manufacturing, pharmaceuticals, or agrochemicals, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2340.89
    methanol 4015.46
    isopropanol 1555.2
    water 570.95
    ethyl acetate 2418.87
    n-propanol 1411.81
    acetone 2944.99
    n-butanol 1056.59
    acetonitrile 2298.27
    DMF 4495.92
    toluene 773.0
    isobutanol 978.09
    1,4-dioxane 3028.67
    methyl acetate 2630.76
    THF 4403.75
    2-butanone 1573.51
    n-pentanol 699.8
    sec-butanol 1225.95
    n-hexane 164.66
    ethylene glycol 846.18
    NMP 5506.22
    cyclohexane 209.18
    DMSO 1971.82
    n-butyl acetate 620.75
    n-octanol 466.48
    chloroform 2611.45
    n-propyl acetate 956.49
    acetic acid 5455.87
    dichloromethane 2761.15
    cyclohexanone 2496.94
    propylene glycol 1109.11
    isopropyl acetate 1208.9
    DMAc 4091.53
    2-ethoxyethanol 1377.41
    isopentanol 697.68
    n-heptane 76.27
    ethyl formate 1917.02
    1,2-dichloroethane 1354.51
    n-hexanol 611.94
    2-methoxyethanol 2935.28
    isobutyl acetate 543.97
    tetrachloromethane 333.61
    n-pentyl acetate 505.95
    transcutol 2659.01
    n-heptanol 258.91
    ethylbenzene 353.0
    MIBK 641.79
    2-propoxyethanol 1402.43
    tert-butanol 1494.21
    MTBE 1021.42
    2-butoxyethanol 545.77
    propionic acid 2552.28
    o-xylene 550.81
    formic acid 3670.77
    diethyl ether 1330.66
    m-xylene 565.19
    p-xylene 537.79
    chlorobenzene 882.31
    dimethyl carbonate 1350.35
    n-octane 40.88
    formamide 2840.48
    cyclopentanone 2895.96
    2-pentanone 1289.9
    anisole 868.09
    cyclopentyl methyl ether 2156.18
    gamma-butyrolactone 5053.28
    1-methoxy-2-propanol 1942.0
    pyridine 1728.75
    3-pentanone 1074.5
    furfural 3603.05
    n-dodecane 38.34
    diethylene glycol 1130.72
    diisopropyl ether 342.19
    tert-amyl alcohol 1175.0
    acetylacetone 2082.48
    n-hexadecane 41.9
    acetophenone 925.75
    methyl propionate 2184.16
    isopentyl acetate 465.49
    trichloroethylene 2460.16
    n-nonanol 386.85
    cyclohexanol 1521.76
    benzyl alcohol 848.98
    2-ethylhexanol 300.92
    isooctanol 197.18
    dipropyl ether 443.09
    1,2-dichlorobenzene 700.3
    ethyl lactate 585.48
    propylene carbonate 2709.06
    n-methylformamide 3154.17
    2-pentanol 740.65
    n-pentane 151.81
    1-propoxy-2-propanol 783.54
    1-methoxy-2-propyl acetate 970.35
    2-(2-methoxypropoxy) propanol 706.05
    mesitylene 311.29
    ε-caprolactone 2815.57
    p-cymene 157.71
    epichlorohydrin 3444.9
    1,1,1-trichloroethane 1307.03
    2-aminoethanol 1337.16
    morpholine-4-carbaldehyde 4589.56
    sulfolane 3290.9
    2,2,4-trimethylpentane 74.81
    2-methyltetrahydrofuran 2868.4
    n-hexyl acetate 957.21
    isooctane 44.38
    2-(2-butoxyethoxy)ethanol 921.5
    sec-butyl acetate 624.1
    tert-butyl acetate 988.47
    decalin 113.08
    glycerin 1364.95
    diglyme 1501.44
    acrylic acid 2274.01
    isopropyl myristate 285.75
    n-butyric acid 2323.23
    acetyl acetate 1846.51
    di(2-ethylhexyl) phthalate 294.43
    ethyl propionate 1112.88
    nitromethane 6759.37
    1,2-diethoxyethane 666.8
    benzonitrile 932.32
    trioctyl phosphate 202.33
    1-bromopropane 790.18
    gamma-valerolactone 4735.64
    n-decanol 267.13
    triethyl phosphate 283.3
    4-methyl-2-pentanol 332.87
    propionitrile 1216.44
    vinylene carbonate 2694.06
    1,1,2-trichlorotrifluoroethane 2146.03
    DMS 1126.0
    cumene 251.99
    2-octanol 234.57
    2-hexanone 705.92
    octyl acetate 425.54
    limonene 246.53
    1,2-dimethoxyethane 2019.56
    ethyl orthosilicate 264.71
    tributyl phosphate 281.88
    diacetone alcohol 1070.39
    N,N-dimethylaniline 578.65
    acrylonitrile 1618.15
    aniline 1134.27
    1,3-propanediol 1446.72
    bromobenzene 743.61
    dibromomethane 1508.94
    1,1,2,2-tetrachloroethane 1790.59
    2-methyl-cyclohexyl acetate 425.17
    tetrabutyl urea 394.65
    diisobutyl methanol 147.4
    2-phenylethanol 568.76
    styrene 413.2
    dioctyl adipate 468.26
    dimethyl sulfate 1824.11
    ethyl butyrate 584.66
    methyl lactate 1137.37
    butyl lactate 447.35
    diethyl carbonate 437.03
    propanediol butyl ether 710.03
    triethyl orthoformate 401.97
    p-tert-butyltoluene 157.34
    methyl 4-tert-butylbenzoate 701.13
    morpholine 3475.07
    tert-butylamine 807.1
    n-dodecanol 195.48
    dimethoxymethane 2648.58
    ethylene carbonate 2177.22
    cyrene 832.6
    2-ethoxyethyl acetate 832.61
    2-ethylhexyl acetate 374.65
    1,2,4-trichlorobenzene 918.04
    4-methylpyridine 2385.4
    dibutyl ether 435.79
    2,6-dimethyl-4-heptanol 147.4
    DEF 2077.68
    dimethyl isosorbide 1178.51
    tetrachloroethylene 1126.23
    eugenol 585.4
    triacetin 1139.24
    span 80 645.17
    1,4-butanediol 586.56
    1,1-dichloroethane 1480.52
    2-methyl-1-pentanol 522.91
    methyl formate 3138.71
    2-methyl-1-butanol 805.52
    n-decane 71.01
    butyronitrile 1045.92
    3,7-dimethyl-1-octanol 322.67
    1-chlorooctane 261.99
    1-chlorotetradecane 98.94
    n-nonane 73.43
    undecane 49.21
    tert-butylcyclohexane 113.21
    cyclooctane 77.22
    cyclopentanol 1722.96
    tetrahydropyran 2306.76
    tert-amyl methyl ether 877.18
    2,5,8-trioxanonane 1092.65
    1-hexene 415.18
    2-isopropoxyethanol 815.14
    2,2,2-trifluoroethanol 1986.17
    methyl butyrate 1329.51

    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