Hexanediol

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  • Identifiers

    CAS number
    26762-52-7

    Molecular formula
    C6H14O2

    SMILES
    CCCCCC(O)O

  • Odor profile

    Fragrance
    Green 81.43%
    Fruity 65.38%
    Oily 58.72%
    Fatty 45.0%
    Vegetable 40.78%
    Fresh 40.15%
    Fermented 39.78%
    Sweet 38.71%
    Herbal 38.64%
    Musty 38.37%

     

    Flavor
    Green 48.39%
    Sweet 38.49%
    Fruity 35.38%
    Bitter 33.49%
    Oily 33.17%
    Musty 31.34%
    Herbal 31.24%
    Fatty 30.39%
    Oil 30.01%
    Mushroom 29.23%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    8.61 (weak base)

    Molecular weight
    118.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    198°C

    Flash point

    • 104.16 ˚C est.

  • Synonyms

    • Hexanediol
    • hexane-1,1-diol
    • 26762-52-7
    • DTXSID70181274
    • SCHEMBL26481
    • DTXCID80103765

  • Applications

    Hexanediol, CAS 26762-52-7, is primarily a multifunctional building block for polymer synthesis, notably for polyesters derived from adipic acid and polyurethanes, and is used in the manufacture of plastics and coating resins. It also serves as a solvent or reactive diluent in coatings, inks, and adhesives, and can act as a plasticizer or comonomer for specialty polymers. In cosmetics and personal care, it may be used as a solvent or humectant in formulations. These applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 890.16
    methanol 1057.75
    isopropanol 652.32
    water 9.41
    ethyl acetate 110.96
    n-propanol 619.93
    acetone 305.07
    n-butanol 608.96
    acetonitrile 107.65
    DMF 494.62
    toluene 18.06
    isobutanol 394.0
    1,4-dioxane 388.61
    methyl acetate 88.05
    THF 733.42
    2-butanone 133.99
    n-pentanol 294.19
    sec-butanol 384.18
    n-hexane 42.01
    ethylene glycol 379.19
    NMP 370.12
    cyclohexane 50.16
    DMSO 895.18
    n-butyl acetate 169.18
    n-octanol 156.15
    chloroform 136.51
    n-propyl acetate 87.55
    acetic acid 529.29
    dichloromethane 129.83
    cyclohexanone 325.49
    propylene glycol 467.83
    isopropyl acetate 83.79
    DMAc 194.2
    2-ethoxyethanol 320.88
    isopentanol 387.24
    n-heptane 56.96
    ethyl formate 125.59
    1,2-dichloroethane 88.73
    n-hexanol 433.98
    2-methoxyethanol 742.06
    isobutyl acetate 64.06
    tetrachloromethane 37.26
    n-pentyl acetate 98.41
    transcutol 593.59
    n-heptanol 188.45
    ethylbenzene 18.15
    MIBK 99.21
    2-propoxyethanol 473.71
    tert-butanol 582.26
    MTBE 148.59
    2-butoxyethanol 262.6
    propionic acid 356.91
    o-xylene 23.98
    formic acid 247.87
    diethyl ether 141.64
    m-xylene 24.71
    p-xylene 25.23
    chlorobenzene 36.31
    dimethyl carbonate 39.16
    n-octane 16.11
    formamide 222.13
    cyclopentanone 374.08
    2-pentanone 156.5
    anisole 56.37
    cyclopentyl methyl ether 205.78
    gamma-butyrolactone 396.7
    1-methoxy-2-propanol 528.48
    pyridine 125.7
    3-pentanone 75.8
    furfural 272.18
    n-dodecane 12.5
    diethylene glycol 417.29
    diisopropyl ether 46.43
    tert-amyl alcohol 330.05
    acetylacetone 150.53
    n-hexadecane 13.17
    acetophenone 60.35
    methyl propionate 93.12
    isopentyl acetate 143.38
    trichloroethylene 138.04
    n-nonanol 128.74
    cyclohexanol 345.78
    benzyl alcohol 79.08
    2-ethylhexanol 201.25
    isooctanol 127.65
    dipropyl ether 175.88
    1,2-dichlorobenzene 41.7
    ethyl lactate 82.52
    propylene carbonate 193.92
    n-methylformamide 284.76
    2-pentanol 290.29
    n-pentane 37.87
    1-propoxy-2-propanol 370.02
    1-methoxy-2-propyl acetate 144.77
    2-(2-methoxypropoxy) propanol 182.35
    mesitylene 24.72
    ε-caprolactone 243.11
    p-cymene 36.21
    epichlorohydrin 269.38
    1,1,1-trichloroethane 66.44
    2-aminoethanol 653.46
    morpholine-4-carbaldehyde 369.46
    sulfolane 532.06
    2,2,4-trimethylpentane 17.47
    2-methyltetrahydrofuran 369.51
    n-hexyl acetate 140.63
    isooctane 17.42
    2-(2-butoxyethoxy)ethanol 286.43
    sec-butyl acetate 55.22
    tert-butyl acetate 105.95
    decalin 19.88
    glycerin 537.19
    diglyme 392.21
    acrylic acid 265.23
    isopropyl myristate 66.49
    n-butyric acid 480.73
    acetyl acetate 69.37
    di(2-ethylhexyl) phthalate 74.37
    ethyl propionate 70.79
    nitromethane 326.16
    1,2-diethoxyethane 147.34
    benzonitrile 77.42
    trioctyl phosphate 73.36
    1-bromopropane 67.5
    gamma-valerolactone 438.16
    n-decanol 97.66
    triethyl phosphate 60.16
    4-methyl-2-pentanol 150.11
    propionitrile 129.84
    vinylene carbonate 147.38
    1,1,2-trichlorotrifluoroethane 275.74
    DMS 71.94
    cumene 21.41
    2-octanol 104.04
    2-hexanone 107.4
    octyl acetate 88.54
    limonene 67.07
    1,2-dimethoxyethane 365.08
    ethyl orthosilicate 62.28
    tributyl phosphate 74.74
    diacetone alcohol 218.68
    N,N-dimethylaniline 51.16
    acrylonitrile 132.4
    aniline 75.54
    1,3-propanediol 704.21
    bromobenzene 27.22
    dibromomethane 87.41
    1,1,2,2-tetrachloroethane 143.62
    2-methyl-cyclohexyl acetate 103.7
    tetrabutyl urea 101.43
    diisobutyl methanol 107.0
    2-phenylethanol 112.57
    styrene 20.12
    dioctyl adipate 99.56
    dimethyl sulfate 79.14
    ethyl butyrate 114.19
    methyl lactate 125.75
    butyl lactate 122.69
    diethyl carbonate 69.85
    propanediol butyl ether 276.25
    triethyl orthoformate 95.44
    p-tert-butyltoluene 38.58
    methyl 4-tert-butylbenzoate 112.92
    morpholine 522.37
    tert-butylamine 344.6
    n-dodecanol 76.86
    dimethoxymethane 217.28
    ethylene carbonate 134.32
    cyrene 146.21
    2-ethoxyethyl acetate 98.73
    2-ethylhexyl acetate 101.74
    1,2,4-trichlorobenzene 53.65
    4-methylpyridine 97.03
    dibutyl ether 105.81
    2,6-dimethyl-4-heptanol 107.0
    DEF 171.91
    dimethyl isosorbide 250.21
    tetrachloroethylene 114.38
    eugenol 125.32
    triacetin 112.41
    span 80 240.72
    1,4-butanediol 249.23
    1,1-dichloroethane 73.63
    2-methyl-1-pentanol 182.81
    methyl formate 149.76
    2-methyl-1-butanol 310.71
    n-decane 19.72
    butyronitrile 194.66
    3,7-dimethyl-1-octanol 129.4
    1-chlorooctane 54.17
    1-chlorotetradecane 26.42
    n-nonane 19.73
    undecane 15.03
    tert-butylcyclohexane 20.71
    cyclooctane 16.48
    cyclopentanol 498.73
    tetrahydropyran 380.59
    tert-amyl methyl ether 102.27
    2,5,8-trioxanonane 303.31
    1-hexene 87.6
    2-isopropoxyethanol 194.22
    2,2,2-trifluoroethanol 124.16
    methyl butyrate 110.96

    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