1,6-Hexanediol

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  • Identifiers

    CAS number
    629-11-8

    Molecular formula
    C6H14O2

    SMILES
    C(CCCO)CCO

    Safety labels

  • Odor profile

    Fragrance
    Alcoholic 51.98%
    Oily 39.26%
    Odorless 38.67%
    Sweet 37.18%
    Fishy 32.74%
    Solvent 30.52%
    Ethereal 30.29%
    Fruity 28.03%
    Fermented 27.42%
    Pungent 23.01%

     

    Flavor
    Sweet 62.96%
    Alcoholic 47.88%
    Bitter 42.45%
    Fusel 41.18%
    Oil 40.59%
    Musty 39.99%
    Fruit 35.17%
    Balsam 33.76%
    Odorless 32.68%
    Alcohol 31.16%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.3

    pKa est.
    8.62 (weak base)

    Molecular weight
    118.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 45 °C
    • 41.5 °C
    • 42.8 °C

    Boiling point

    • 250 °C
    • 208 °C

    Flash point

    • 120.46 ˚C est.
    • 101 °C
    • 102 °C (216 °F) - closed cup

    Solubility expt.

    • Soluble in water
    • Soluble in alcohol; sparingly soluble in hot ether.
    • Solubility in water: good

  • Synonyms

    • 1,6-HEXANEDIOL
    • Hexane-1,6-diol
    • 629-11-8
    • Hexamethylene glycol
    • 1,6-Dihydroxyhexane
    • Hexamethylenediol
    • alpha,omega-Hexanediol
    • DTXSID1027265
    • ZIA319275I
    • DTXCID907265
    • CHEBI:43078
    • hexamethyleneglycol
    • RefChem:907046
    • 211-074-0
    • 1,6-Hexylene Glycol
    • .alpha.,.omega.-Hexanediol
    • 6-hydroxy-1-hexanol
    • MFCD00002985
    • 27236-13-1
    • HEZ
    • CCRIS 8982
    • HSDB 6488
    • NSC 508
    • EINECS 211-074-0
    • BRN 1633461
    • UNII-ZIA319275I
    • AI3-03307
    • 1,6hexanediol
    • 1.6-hexanediol
    • 1,6-hexandiol
    • 1.6-hexandiol
    • .omega.-Hexanediol
    • 1,6-hexane diol
    • 1,6-hexan-diol
    • hexan-1,6-diol
    • Hexanediol-(1,6)
    • 1,6-Hexanediol, 97%
    • 1,6-Hexanediol, 99%
    • EC 211-074-0
    • WLN: Q6Q
    • HO(CH2)6OH
    • SCHEMBL15343
    • SCHEMBL272453
    • SCHEMBL331126
    • SCHEMBL596836
    • SCHEMBL735965
    • CHEMBL458616
    • NSC508
    • orb2939871
    • SCHEMBL2866023
    • SCHEMBL6387994
    • SCHEMBL11227979
    • 1,6-HEXANEDIOL [HSDB]
    • HEXAMETHYLENE GLYCOL [MI]
    • Tox21_200450
    • EBC-47180
    • SBB059915
    • AKOS003242194
    • CS-W011221
    • DB02210
    • FH34814
    • HY-W010505
    • MSK161015-100M
    • MSK161015-1000M
    • NCGC00248624-01
    • NCGC00258004-01
    • AS-12686
    • BP-21412
    • CAS-629-11-8
    • DB-027344
    • H0099
    • NS00001150
    • ST51046183
    • EN300-19325
    • G81203
    • 1,6-Hexanediol Solution in Methanol, 100ug/mL
    • 1,6-Hexanediol Solution in Methanol, 1000ug/mL
    • F242635
    • Q161563
    • doi:10.14272/XXMIOPMDWAUFGU-UHFFFAOYSA-N.1
    • F0001-1701
    • Z104473540
    • InChI=1/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H
    • 629-11-8

  • Applications

    1,6-Hexanediol (CAS 629-11-8) is primarily used as a diol monomer and chain extender in polyurethane and polyester resins, enabling flexible, durable polymers for coatings, adhesives, and elastomeric formulations. It also serves as a processing aid and reactive solvent in resin and coating formulations, and acts as a building block for high-performance resins, crosslinkers, and specialty polymers. In industrial manufacturing it can function as a plasticizer to tune flexibility and processability, and as an intermediate for the synthesis of custom hydroxyl-containing resins and additives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1973.16
    methanol 4205.27
    isopropanol 1002.44
    water 20.09
    ethyl acetate 127.25
    n-propanol 1605.81
    acetone 277.97
    n-butanol 1601.49
    acetonitrile 147.83
    DMF 494.9
    toluene 22.05
    isobutanol 804.43
    1,4-dioxane 317.9
    methyl acetate 100.49
    THF 740.33
    2-butanone 166.51
    n-pentanol 387.82
    sec-butanol 677.01
    n-hexane 38.82
    ethylene glycol 718.87
    NMP 482.58
    cyclohexane 62.69
    DMSO 1716.09
    n-butyl acetate 170.44
    n-octanol 107.09
    chloroform 264.98
    n-propyl acetate 111.43
    acetic acid 962.23
    dichloromethane 252.32
    cyclohexanone 477.18
    propylene glycol 683.89
    isopropyl acetate 56.27
    DMAc 122.2
    2-ethoxyethanol 419.96
    isopentanol 609.82
    n-heptane 48.39
    ethyl formate 221.15
    1,2-dichloroethane 194.22
    n-hexanol 392.96
    2-methoxyethanol 1360.05
    isobutyl acetate 54.57
    tetrachloromethane 109.15
    n-pentyl acetate 90.22
    transcutol 614.15
    n-heptanol 150.32
    ethylbenzene 17.23
    MIBK 67.32
    2-propoxyethanol 456.67
    tert-butanol 712.0
    MTBE 98.58
    2-butoxyethanol 268.83
    propionic acid 697.33
    o-xylene 22.27
    formic acid 706.65
    diethyl ether 137.81
    m-xylene 19.12
    p-xylene 23.18
    chlorobenzene 62.97
    dimethyl carbonate 32.63
    n-octane 11.24
    formamide 704.59
    cyclopentanone 615.01
    2-pentanone 164.0
    anisole 48.04
    cyclopentyl methyl ether 243.0
    gamma-butyrolactone 682.97
    1-methoxy-2-propanol 618.4
    pyridine 222.05
    3-pentanone 88.73
    furfural 493.47
    n-dodecane 5.76
    diethylene glycol 442.37
    diisopropyl ether 25.78
    tert-amyl alcohol 401.45
    acetylacetone 109.11
    n-hexadecane 6.27
    acetophenone 61.6
    methyl propionate 114.35
    isopentyl acetate 118.1
    trichloroethylene 297.07
    n-nonanol 84.99
    cyclohexanol 614.24
    benzyl alcohol 98.4
    2-ethylhexanol 168.61
    isooctanol 103.01
    dipropyl ether 144.08
    1,2-dichlorobenzene 68.91
    ethyl lactate 85.26
    propylene carbonate 286.76
    n-methylformamide 702.42
    2-pentanol 430.9
    n-pentane 44.26
    1-propoxy-2-propanol 324.62
    1-methoxy-2-propyl acetate 98.31
    2-(2-methoxypropoxy) propanol 122.1
    mesitylene 15.61
    ε-caprolactone 363.56
    p-cymene 29.08
    epichlorohydrin 411.01
    1,1,1-trichloroethane 118.08
    2-aminoethanol 1242.87
    morpholine-4-carbaldehyde 384.18
    sulfolane 955.26
    2,2,4-trimethylpentane 14.09
    2-methyltetrahydrofuran 438.98
    n-hexyl acetate 110.21
    isooctane 9.91
    2-(2-butoxyethoxy)ethanol 227.78
    sec-butyl acetate 47.27
    tert-butyl acetate 63.42
    decalin 16.02
    glycerin 791.9
    diglyme 354.75
    acrylic acid 549.64
    isopropyl myristate 34.64
    n-butyric acid 926.35
    acetyl acetate 57.52
    di(2-ethylhexyl) phthalate 51.89
    ethyl propionate 73.07
    nitromethane 522.72
    1,2-diethoxyethane 117.23
    benzonitrile 100.1
    trioctyl phosphate 50.26
    1-bromopropane 125.09
    gamma-valerolactone 599.41
    n-decanol 56.56
    triethyl phosphate 55.72
    4-methyl-2-pentanol 118.57
    propionitrile 217.41
    vinylene carbonate 219.27
    1,1,2-trichlorotrifluoroethane 486.19
    DMS 55.42
    cumene 17.03
    2-octanol 74.74
    2-hexanone 109.67
    octyl acetate 50.05
    limonene 57.54
    1,2-dimethoxyethane 345.8
    ethyl orthosilicate 55.8
    tributyl phosphate 58.27
    diacetone alcohol 171.84
    N,N-dimethylaniline 38.78
    acrylonitrile 264.7
    aniline 125.34
    1,3-propanediol 1479.87
    bromobenzene 45.43
    dibromomethane 187.46
    1,1,2,2-tetrachloroethane 294.55
    2-methyl-cyclohexyl acetate 91.12
    tetrabutyl urea 71.88
    diisobutyl methanol 78.29
    2-phenylethanol 102.7
    styrene 22.37
    dioctyl adipate 67.78
    dimethyl sulfate 79.49
    ethyl butyrate 118.2
    methyl lactate 128.56
    butyl lactate 131.94
    diethyl carbonate 63.48
    propanediol butyl ether 250.94
    triethyl orthoformate 85.36
    p-tert-butyltoluene 28.6
    methyl 4-tert-butylbenzoate 88.98
    morpholine 626.22
    tert-butylamine 390.06
    n-dodecanol 40.27
    dimethoxymethane 187.66
    ethylene carbonate 186.91
    cyrene 143.45
    2-ethoxyethyl acetate 89.96
    2-ethylhexyl acetate 89.8
    1,2,4-trichlorobenzene 80.26
    4-methylpyridine 129.18
    dibutyl ether 81.06
    2,6-dimethyl-4-heptanol 78.29
    DEF 181.92
    dimethyl isosorbide 191.84
    tetrachloroethylene 305.03
    eugenol 104.81
    triacetin 89.95
    span 80 169.99
    1,4-butanediol 365.77
    1,1-dichloroethane 120.81
    2-methyl-1-pentanol 193.26
    methyl formate 299.9
    2-methyl-1-butanol 594.22
    n-decane 11.19
    butyronitrile 291.56
    3,7-dimethyl-1-octanol 88.28
    1-chlorooctane 41.43
    1-chlorotetradecane 13.17
    n-nonane 12.33
    undecane 7.57
    tert-butylcyclohexane 15.3
    cyclooctane 15.34
    cyclopentanol 946.62
    tetrahydropyran 436.28
    tert-amyl methyl ether 76.64
    2,5,8-trioxanonane 221.07
    1-hexene 91.03
    2-isopropoxyethanol 188.41
    2,2,2-trifluoroethanol 276.08
    methyl butyrate 145.2

    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