Hexyl dimethylolpropionate

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  • Identifiers

    CAS number
    1269638-43-8

    Molecular formula
    C11H22O4

    SMILES
    CCCCCCOC(=O)C(C)(CO)CO

    Safety labels

  • Odor profile

    Fragrance
    Fruity 64.88%
    Oily 47.51%
    Herbal 45.74%
    Sweet 42.63%
    Green 41.56%
    Floral 35.61%
    Fresh 34.22%
    Winey 30.14%
    Apple 29.46%
    Earthy 26.46%

     

    Flavor
    Fruity 64.75%
    Sweet 51.22%
    Green 48.24%
    Waxy 42.69%
    Tropical 37.0%
    Apple 34.24%
    Wine 31.07%
    Berry 28.89%
    Fruit 28.71%
    Bitter 27.92%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    7.4 (neutral)

    Molecular weight
    218.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    304°C

    Flash point

    • 137.18 ˚C est.

  • Synonyms

    • Hexyl dimethylolpropionate
    • Nikkol nikkoguard 6
    • UNII-69O17C5M4I
    • 69O17C5M4I
    • 1269638-43-8
    • DTXSID10155353
    • Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, hexyl ester
    • RefChem:146338
    • DTXCID1077844
    • HEXYL DIMETHYLOLPROPIONATE [INCI]
    • hexyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
    • SCHEMBL1499895
    • Q27264367
    • 1269638-43-8

  • Applications

    Hexyl dimethylolpropionate (CAS 1269638-43-8) serves as a multifunctional intermediate/additive in polymer and coating systems: it functions as a diol crosslinker/chain extender in polyurethane dispersions and related polymers to enhance film formation and hydrolytic stability; it also acts as a plasticizer and co-solvent in coatings, inks, and adhesive formulations to improve flexibility and processing; in cosmetics and personal care, it can be used as a humectant/emollient due to its diol ester structure; and in polymer processing it serves as a processing aid/stabilizer to help moisture retention and durability of the finished product.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3518.36
    methanol 4563.43
    isopropanol 3167.24
    water 1.76
    ethyl acetate 1854.92
    n-propanol 2411.06
    acetone 2462.33
    n-butanol 2118.67
    acetonitrile 1045.41
    DMF 2754.79
    toluene 208.53
    isobutanol 1906.68
    1,4-dioxane 2080.76
    methyl acetate 1207.7
    THF 3140.06
    2-butanone 1490.98
    n-pentanol 1133.67
    sec-butanol 2184.07
    n-hexane 48.81
    ethylene glycol 556.7
    NMP 1547.84
    cyclohexane 133.92
    DMSO 3442.31
    n-butyl acetate 832.68
    n-octanol 329.36
    chloroform 1990.53
    n-propyl acetate 897.11
    acetic acid 2433.58
    dichloromethane 1692.21
    cyclohexanone 1981.85
    propylene glycol 1039.2
    isopropyl acetate 1094.92
    DMAc 1535.91
    2-ethoxyethanol 1598.17
    isopentanol 1811.74
    n-heptane 26.17
    ethyl formate 1125.32
    1,2-dichloroethane 1438.99
    n-hexanol 841.52
    2-methoxyethanol 3191.27
    isobutyl acetate 532.32
    tetrachloromethane 275.15
    n-pentyl acetate 473.53
    transcutol 3025.21
    n-heptanol 368.44
    ethylbenzene 152.57
    MIBK 940.25
    2-propoxyethanol 1294.55
    tert-butanol 4090.18
    MTBE 1802.22
    2-butoxyethanol 764.1
    propionic acid 1514.71
    o-xylene 193.02
    formic acid 1078.37
    diethyl ether 1219.9
    m-xylene 212.29
    p-xylene 222.6
    chlorobenzene 433.9
    dimethyl carbonate 381.41
    n-octane 15.1
    formamide 1508.07
    cyclopentanone 2150.05
    2-pentanone 1543.79
    anisole 408.87
    cyclopentyl methyl ether 1198.12
    gamma-butyrolactone 2466.83
    1-methoxy-2-propanol 2350.14
    pyridine 936.22
    3-pentanone 746.61
    furfural 1405.04
    n-dodecane 12.8
    diethylene glycol 1049.93
    diisopropyl ether 335.75
    tert-amyl alcohol 2779.94
    acetylacetone 1358.76
    n-hexadecane 14.76
    acetophenone 483.64
    methyl propionate 1108.27
    isopentyl acetate 782.76
    trichloroethylene 2520.17
    n-nonanol 261.31
    cyclohexanol 1541.35
    benzyl alcohol 471.71
    2-ethylhexanol 411.24
    isooctanol 319.82
    dipropyl ether 295.12
    1,2-dichlorobenzene 415.72
    ethyl lactate 412.31
    propylene carbonate 1245.19
    n-methylformamide 1760.75
    2-pentanol 1592.67
    n-pentane 56.85
    1-propoxy-2-propanol 940.5
    1-methoxy-2-propyl acetate 789.28
    2-(2-methoxypropoxy) propanol 512.7
    mesitylene 159.94
    ε-caprolactone 1622.99
    p-cymene 117.91
    epichlorohydrin 2464.29
    1,1,1-trichloroethane 1200.71
    2-aminoethanol 1381.12
    morpholine-4-carbaldehyde 1589.03
    sulfolane 2516.26
    2,2,4-trimethylpentane 59.45
    2-methyltetrahydrofuran 2011.26
    n-hexyl acetate 615.88
    isooctane 47.43
    2-(2-butoxyethoxy)ethanol 842.26
    sec-butyl acetate 614.97
    tert-butyl acetate 1125.61
    decalin 56.76
    glycerin 1170.7
    diglyme 1585.92
    acrylic acid 1050.01
    isopropyl myristate 186.03
    n-butyric acid 2539.96
    acetyl acetate 846.24
    di(2-ethylhexyl) phthalate 195.78
    ethyl propionate 679.28
    nitromethane 3254.38
    1,2-diethoxyethane 662.43
    benzonitrile 531.71
    trioctyl phosphate 169.79
    1-bromopropane 683.27
    gamma-valerolactone 2416.57
    n-decanol 171.83
    triethyl phosphate 202.22
    4-methyl-2-pentanol 709.87
    propionitrile 931.38
    vinylene carbonate 961.86
    1,1,2-trichlorotrifluoroethane 1776.39
    DMS 398.1
    cumene 128.17
    2-octanol 265.23
    2-hexanone 799.43
    octyl acetate 249.14
    limonene 218.16
    1,2-dimethoxyethane 1946.77
    ethyl orthosilicate 210.4
    tributyl phosphate 203.35
    diacetone alcohol 1474.1
    N,N-dimethylaniline 284.22
    acrylonitrile 981.82
    aniline 502.7
    1,3-propanediol 2169.58
    bromobenzene 376.57
    dibromomethane 1066.12
    1,1,2,2-tetrachloroethane 2240.39
    2-methyl-cyclohexyl acetate 398.18
    tetrabutyl urea 240.42
    diisobutyl methanol 249.12
    2-phenylethanol 417.12
    styrene 179.26
    dioctyl adipate 288.55
    dimethyl sulfate 656.28
    ethyl butyrate 519.98
    methyl lactate 637.89
    butyl lactate 470.9
    diethyl carbonate 315.92
    propanediol butyl ether 774.97
    triethyl orthoformate 324.75
    p-tert-butyltoluene 121.07
    methyl 4-tert-butylbenzoate 444.86
    morpholine 2950.53
    tert-butylamine 1954.91
    n-dodecanol 121.85
    dimethoxymethane 1314.04
    ethylene carbonate 913.8
    cyrene 537.88
    2-ethoxyethyl acetate 610.22
    2-ethylhexyl acetate 519.49
    1,2,4-trichlorobenzene 513.89
    4-methylpyridine 879.42
    dibutyl ether 271.18
    2,6-dimethyl-4-heptanol 249.12
    DEF 1400.91
    dimethyl isosorbide 767.19
    tetrachloroethylene 1346.49
    eugenol 416.55
    triacetin 505.32
    span 80 484.99
    1,4-butanediol 718.77
    1,1-dichloroethane 1454.39
    2-methyl-1-pentanol 963.9
    methyl formate 1129.29
    2-methyl-1-butanol 1541.56
    n-decane 22.67
    butyronitrile 1226.02
    3,7-dimethyl-1-octanol 329.56
    1-chlorooctane 150.98
    1-chlorotetradecane 47.94
    n-nonane 21.71
    undecane 16.13
    tert-butylcyclohexane 52.6
    cyclooctane 33.27
    cyclopentanol 1820.21
    tetrahydropyran 2168.74
    tert-amyl methyl ether 975.46
    2,5,8-trioxanonane 852.13
    1-hexene 223.79
    2-isopropoxyethanol 1005.71
    2,2,2-trifluoroethanol 807.0
    methyl butyrate 1064.45

    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