1,2-Hexanediol

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  • Identifiers

    CAS number
    6920-22-5

    Molecular formula
    C6H14O2

    SMILES
    CCCCC(CO)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 59.64%
    Oily 49.22%
    Alcoholic 44.88%
    Fermented 39.64%
    Sweet 37.71%
    Musty 31.43%
    Solvent 30.97%
    Ethereal 30.22%
    Odorless 29.01%
    Cheesy 28.95%

     

    Flavor
    Sweet 50.25%
    Odorless 38.27%
    Herbal 32.05%
    Alcoholic 29.09%
    Oily 27.14%
    Musty 26.68%
    Very slight 24.33%
    Sweet-like 23.91%
    Herb 23.7%
    Mild 23.42%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    7.98 (neutral)

    Molecular weight
    118.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    222°C

    Flash point

    • 108.03 ˚C est.

  • Synonyms

    • 1,2-Hexanediol
    • 6920-22-5
    • DL-1,2-Hexanediol
    • 1,2-Dihydroxyhexane
    • 5,6-Dihydroxyhexane
    • TR046Y3K1G
    • DTXSID40863959
    • RefChem:412076
    • DTXCID80812527
    • 230-029-6
    • hexane-1,2-diol
    • dl-hexane-1,2-diol
    • MFCD00010737
    • 1,2-Hexylene Glycol
    • UNII-TR046Y3K1G
    • (+/-)-Hexane-1,2-diol; 1,2-Dihydroxyhexane; 1,2-Hexyleneglycol; 5,6-Dihydroxyhexane; DL-1,2-Hexanediol; KMO 6
    • 1,2-hexyleneglycol
    • EINECS 230-029-6
    • AI3-13210
    • 1,2-Hexanediol, 98%
    • EC 230-029-6
    • SCHEMBL53705
    • 1,2-HEXANEDIOL, DL
    • SCHEMBL270277
    • SCHEMBL270579
    • SCHEMBL270929
    • SCHEMBL270962
    • SCHEMBL1717785
    • SCHEMBL1873762
    • SCHEMBL2887758
    • SCHEMBL3736283
    • SCHEMBL5486828
    • SCHEMBL5705329
    • MSK162405
    • AKOS015915402
    • CS-W013596
    • DB14108
    • DS-7407
    • FH61731
    • PD085650
    • SY049796
    • H0688
    • NS00009391
    • F11270
    • EN300-1678327
    • F462654
    • Q27290177
    • 6920-22-5

  • Applications

    1,2-Hexanediol (CAS 6920-22-5) is commonly used as a humectant and solvent in cosmetics and personal care, helping to retain moisture and dissolve active ingredients; it also serves as a solvent/carrier for fragrance and flavor formulations, and as a co-solvent in cleaning products to improve stability and performance; in coatings, inks, and adhesives, it acts as a humectant/solvent to control drying and flow; in polymer and plastics processing, it is used as a diol chain extender or processing aid for polyurethanes and polyesters, tuning material properties; and it may be employed as a processing solvent in pharmaceutical formulations and other formulation systems where a diol-type solvent/co-solvent is desired.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 600.22
    methanol 827.82
    isopropanol 412.71
    water 13.06
    ethyl acetate 57.32
    n-propanol 417.25
    acetone 106.3
    n-butanol 374.71
    acetonitrile 76.07
    DMF 265.17
    toluene 9.8
    isobutanol 269.3
    1,4-dioxane 242.78
    methyl acetate 60.72
    THF 353.66
    2-butanone 69.9
    n-pentanol 180.57
    sec-butanol 251.46
    n-hexane 9.32
    ethylene glycol 336.92
    NMP 206.61
    cyclohexane 18.58
    DMSO 649.47
    n-butyl acetate 112.4
    n-octanol 88.66
    chloroform 113.42
    n-propyl acetate 55.86
    acetic acid 405.22
    dichloromethane 108.47
    cyclohexanone 185.73
    propylene glycol 352.0
    isopropyl acetate 38.29
    DMAc 120.81
    2-ethoxyethanol 257.82
    isopentanol 239.99
    n-heptane 23.44
    ethyl formate 96.62
    1,2-dichloroethane 62.95
    n-hexanol 278.8
    2-methoxyethanol 589.53
    isobutyl acetate 41.06
    tetrachloromethane 29.19
    n-pentyl acetate 54.38
    transcutol 453.32
    n-heptanol 124.4
    ethylbenzene 10.68
    MIBK 47.94
    2-propoxyethanol 333.33
    tert-butanol 402.11
    MTBE 77.79
    2-butoxyethanol 203.83
    propionic acid 261.22
    o-xylene 14.63
    formic acid 251.72
    diethyl ether 52.09
    m-xylene 13.0
    p-xylene 15.79
    chlorobenzene 29.01
    dimethyl carbonate 19.69
    n-octane 7.02
    formamide 200.35
    cyclopentanone 200.1
    2-pentanone 63.52
    anisole 37.61
    cyclopentyl methyl ether 95.09
    gamma-butyrolactone 240.3
    1-methoxy-2-propanol 349.83
    pyridine 88.06
    3-pentanone 33.45
    furfural 217.04
    n-dodecane 5.84
    diethylene glycol 343.41
    diisopropyl ether 18.91
    tert-amyl alcohol 229.49
    acetylacetone 72.47
    n-hexadecane 6.12
    acetophenone 47.09
    methyl propionate 48.75
    isopentyl acetate 94.23
    trichloroethylene 111.5
    n-nonanol 73.65
    cyclohexanol 219.68
    benzyl alcohol 68.57
    2-ethylhexanol 132.28
    isooctanol 92.47
    dipropyl ether 87.28
    1,2-dichlorobenzene 35.06
    ethyl lactate 62.58
    propylene carbonate 130.76
    n-methylformamide 202.66
    2-pentanol 160.03
    n-pentane 10.01
    1-propoxy-2-propanol 262.11
    1-methoxy-2-propyl acetate 91.56
    2-(2-methoxypropoxy) propanol 137.27
    mesitylene 13.35
    ε-caprolactone 159.52
    p-cymene 25.08
    epichlorohydrin 180.84
    1,1,1-trichloroethane 44.81
    2-aminoethanol 510.68
    morpholine-4-carbaldehyde 248.58
    sulfolane 342.08
    2,2,4-trimethylpentane 8.58
    2-methyltetrahydrofuran 191.09
    n-hexyl acetate 76.63
    isooctane 7.79
    2-(2-butoxyethoxy)ethanol 198.53
    sec-butyl acetate 32.68
    tert-butyl acetate 52.39
    decalin 9.54
    glycerin 446.1
    diglyme 301.84
    acrylic acid 209.75
    isopropyl myristate 35.65
    n-butyric acid 328.72
    acetyl acetate 37.68
    di(2-ethylhexyl) phthalate 51.81
    ethyl propionate 35.61
    nitromethane 238.16
    1,2-diethoxyethane 87.15
    benzonitrile 66.64
    trioctyl phosphate 48.3
    1-bromopropane 38.0
    gamma-valerolactone 278.14
    n-decanol 54.96
    triethyl phosphate 42.17
    4-methyl-2-pentanol 84.88
    propionitrile 80.6
    vinylene carbonate 113.97
    1,1,2-trichlorotrifluoroethane 231.56
    DMS 41.46
    cumene 14.07
    2-octanol 62.45
    2-hexanone 56.64
    octyl acetate 47.81
    limonene 42.65
    1,2-dimethoxyethane 243.92
    ethyl orthosilicate 43.68
    tributyl phosphate 45.33
    diacetone alcohol 131.45
    N,N-dimethylaniline 33.73
    acrylonitrile 103.17
    aniline 53.04
    1,3-propanediol 578.83
    bromobenzene 20.66
    dibromomethane 67.21
    1,1,2,2-tetrachloroethane 114.79
    2-methyl-cyclohexyl acetate 72.3
    tetrabutyl urea 61.7
    diisobutyl methanol 68.66
    2-phenylethanol 90.14
    styrene 12.72
    dioctyl adipate 61.84
    dimethyl sulfate 47.93
    ethyl butyrate 76.17
    methyl lactate 79.44
    butyl lactate 85.51
    diethyl carbonate 45.75
    propanediol butyl ether 197.57
    triethyl orthoformate 66.9
    p-tert-butyltoluene 26.15
    methyl 4-tert-butylbenzoate 78.68
    morpholine 317.56
    tert-butylamine 202.89
    n-dodecanol 44.31
    dimethoxymethane 97.13
    ethylene carbonate 95.75
    cyrene 123.04
    2-ethoxyethyl acetate 64.59
    2-ethylhexyl acetate 63.85
    1,2,4-trichlorobenzene 45.2
    4-methylpyridine 61.82
    dibutyl ether 46.96
    2,6-dimethyl-4-heptanol 68.66
    DEF 90.38
    dimethyl isosorbide 178.56
    tetrachloroethylene 95.42
    eugenol 98.0
    triacetin 73.61
    span 80 167.05
    1,4-butanediol 207.0
    1,1-dichloroethane 46.54
    2-methyl-1-pentanol 127.24
    methyl formate 110.27
    2-methyl-1-butanol 201.65
    n-decane 8.48
    butyronitrile 109.97
    3,7-dimethyl-1-octanol 77.31
    1-chlorooctane 27.11
    1-chlorotetradecane 13.55
    n-nonane 8.05
    undecane 6.84
    tert-butylcyclohexane 10.08
    cyclooctane 6.69
    cyclopentanol 302.27
    tetrahydropyran 191.37
    tert-amyl methyl ether 55.03
    2,5,8-trioxanonane 229.59
    1-hexene 25.77
    2-isopropoxyethanol 160.43
    2,2,2-trifluoroethanol 104.19
    methyl butyrate 69.45

    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