1,2,6-Hexanetriol

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  • Identifiers

    CAS number
    106-69-4

    Molecular formula
    C6H14O3

    SMILES
    C(CCO)CC(CO)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 55.24%
    Alcoholic 41.36%
    Sweet 32.56%
    Fishy 29.5%
    Oily 29.21%
    Fruity 22.88%
    Buttery 22.65%
    Solvent 21.24%
    Ethereal 20.18%
    Fresh 17.48%

     

    Flavor
    Odorless 64.41%
    Sweet 57.88%
    Alcoholic 34.41%
    Bitter 33.85%
    Sweet-like 30.25%
    Very slight 27.02%
    Musty 26.04%
    Fruit 24.12%
    Cauliflower 23.32%
    Mild 23.15%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.7

    pKa est.
    7.27 (neutral)

    Molecular weight
    134.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    314°C

    Flash point

    • 159.23 ˚C est.

  • Synonyms

    • 1,2,6-HEXANETRIOL
    • 106-69-4
    • 1,2,6-Trihydroxyhexane
    • W45XXM0XWE
    • DTXSID0041224
    • NSC404957
    • NSC-404957
    • DTXCID8021224
    • RefChem:71584
    • 203-424-6
    • Hexane-1,2,6-triol
    • MFCD00002976
    • 112254-74-7
    • Hexanetriol-1,2,6
    • EINECS 203-424-6
    • UNII-W45XXM0XWE
    • NSC 404957
    • BRN 1304479
    • AI3-14311
    • 1,6-Hexanetriol
    • Hexanetriol-1,6
    • Hexane-1,6-triol
    • 1,2,6-hexantriol
    • 1,2,6-Hexanetrio
    • 1,6-Trihydroxyhexane
    • Hexanetriol-(1,2,6)
    • SCHEMBL35437
    • 4-01-00-02784 (Beilstein Handbook Reference)
    • 1,2,6-Hexanetriol, 96%
    • orb3023435
    • SCHEMBL1671350
    • SCHEMBL2323751
    • SCHEMBL6113365
    • SCHEMBL6433913
    • SCHEMBL6437371
    • SCHEMBL6437704
    • SCHEMBL6438507
    • SCHEMBL7712669
    • WLN: Q4YQ & 1Q
    • CHEMBL3184716
    • SCHEMBL23112784
    • CHEBI:179443
    • 1,2,6-HEXANETRIOL [II]
    • 1,2,6-Trihydroxyhexane, >=95%
    • Tox21_300999
    • SBB061014
    • AKOS009031408
    • CS-W013379
    • SB83850
    • NCGC00248249-01
    • NCGC00254901-01
    • AS-56858
    • CAS-106-69-4
    • SY039672
    • DB-010100
    • H0104
    • H1069
    • NS00013741
    • ST51047094
    • EN300-19334
    • C20334
    • F448435
    • Q18018076
    • 106-69-4

  • Applications

    1,2,6-Hexanetriol (CAS 106-69-4) is a multifunctional triol used primarily as a polyol intermediate in the synthesis of polymers such as polyurethanes and polyesters. It can also act as a crosslinking agent in coatings, inks, and resin formulations to improve network properties. In cosmetics and personal care, it serves as a plasticizer and humectant to help retain moisture and enhance texture. It is an intermediate for the preparation of specialty esters and other chemical intermediates for coatings and specialty polymers. In industrial formulations, it may function as a solvent or co-solvent in various processing systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 497.6
    methanol 2079.07
    isopropanol 157.13
    water 699.74
    ethyl acetate 24.76
    n-propanol 304.82
    acetone 59.63
    n-butanol 205.69
    acetonitrile 26.68
    DMF 606.1
    toluene 2.1
    isobutanol 147.51
    1,4-dioxane 104.43
    methyl acetate 20.65
    THF 188.5
    2-butanone 24.66
    n-pentanol 66.62
    sec-butanol 103.14
    n-hexane 1.77
    ethylene glycol 1392.33
    NMP 444.3
    cyclohexane 6.19
    DMSO 1801.23
    n-butyl acetate 28.04
    n-octanol 25.26
    chloroform 9.83
    n-propyl acetate 21.89
    acetic acid 963.29
    dichloromethane 13.84
    cyclohexanone 104.75
    propylene glycol 765.01
    isopropyl acetate 15.52
    DMAc 189.16
    2-ethoxyethanol 299.38
    isopentanol 115.04
    n-heptane 4.76
    ethyl formate 70.64
    1,2-dichloroethane 14.15
    n-hexanol 80.21
    2-methoxyethanol 1063.19
    isobutyl acetate 12.0
    tetrachloromethane 7.23
    n-pentyl acetate 16.95
    transcutol 356.26
    n-heptanol 39.88
    ethylbenzene 2.04
    MIBK 20.79
    2-propoxyethanol 208.5
    tert-butanol 186.15
    MTBE 18.66
    2-butoxyethanol 120.63
    propionic acid 372.2
    o-xylene 4.76
    formic acid 1997.33
    diethyl ether 13.79
    m-xylene 3.98
    p-xylene 3.04
    chlorobenzene 4.99
    dimethyl carbonate 22.22
    n-octane 1.46
    formamide 1420.52
    cyclopentanone 156.97
    2-pentanone 28.52
    anisole 10.42
    cyclopentyl methyl ether 53.62
    gamma-butyrolactone 250.5
    1-methoxy-2-propanol 377.24
    pyridine 30.11
    3-pentanone 15.06
    furfural 215.48
    n-dodecane 1.08
    diethylene glycol 429.67
    diisopropyl ether 5.73
    tert-amyl alcohol 104.26
    acetylacetone 48.12
    n-hexadecane 1.12
    acetophenone 19.55
    methyl propionate 32.92
    isopentyl acetate 24.18
    trichloroethylene 21.45
    n-nonanol 20.15
    cyclohexanol 141.25
    benzyl alcohol 32.16
    2-ethylhexanol 32.15
    isooctanol 28.4
    dipropyl ether 22.27
    1,2-dichlorobenzene 7.71
    ethyl lactate 48.11
    propylene carbonate 94.87
    n-methylformamide 621.89
    2-pentanol 61.98
    n-pentane 2.32
    1-propoxy-2-propanol 124.67
    1-methoxy-2-propyl acetate 40.73
    2-(2-methoxypropoxy) propanol 77.71
    mesitylene 4.98
    ε-caprolactone 108.94
    p-cymene 6.27
    epichlorohydrin 93.28
    1,1,1-trichloroethane 6.86
    2-aminoethanol 1402.28
    morpholine-4-carbaldehyde 357.12
    sulfolane 506.9
    2,2,4-trimethylpentane 2.06
    2-methyltetrahydrofuran 76.01
    n-hexyl acetate 24.12
    isooctane 1.71
    2-(2-butoxyethoxy)ethanol 126.01
    sec-butyl acetate 10.9
    tert-butyl acetate 23.74
    decalin 2.1
    glycerin 1233.25
    diglyme 209.92
    acrylic acid 419.99
    isopropyl myristate 8.67
    n-butyric acid 313.53
    acetyl acetate 21.27
    di(2-ethylhexyl) phthalate 20.35
    ethyl propionate 15.58
    nitromethane 412.14
    1,2-diethoxyethane 28.76
    benzonitrile 17.04
    trioctyl phosphate 18.56
    1-bromopropane 4.95
    gamma-valerolactone 274.0
    n-decanol 14.33
    triethyl phosphate 18.63
    4-methyl-2-pentanol 30.3
    propionitrile 26.61
    vinylene carbonate 76.79
    1,1,2-trichlorotrifluoroethane 277.09
    DMS 20.51
    cumene 3.14
    2-octanol 16.4
    2-hexanone 16.64
    octyl acetate 13.29
    limonene 10.81
    1,2-dimethoxyethane 166.96
    ethyl orthosilicate 17.54
    tributyl phosphate 17.99
    diacetone alcohol 95.03
    N,N-dimethylaniline 13.22
    acrylonitrile 48.48
    aniline 22.26
    1,3-propanediol 1125.41
    bromobenzene 3.1
    dibromomethane 8.2
    1,1,2,2-tetrachloroethane 24.2
    2-methyl-cyclohexyl acetate 23.65
    tetrabutyl urea 27.49
    diisobutyl methanol 19.9
    2-phenylethanol 29.87
    styrene 2.33
    dioctyl adipate 20.77
    dimethyl sulfate 75.07
    ethyl butyrate 23.92
    methyl lactate 109.91
    butyl lactate 46.09
    diethyl carbonate 15.61
    propanediol butyl ether 143.81
    triethyl orthoformate 23.43
    p-tert-butyltoluene 6.79
    methyl 4-tert-butylbenzoate 39.85
    morpholine 216.15
    tert-butylamine 65.61
    n-dodecanol 10.66
    dimethoxymethane 113.89
    ethylene carbonate 63.79
    cyrene 114.86
    2-ethoxyethyl acetate 25.12
    2-ethylhexyl acetate 15.82
    1,2,4-trichlorobenzene 10.31
    4-methylpyridine 16.53
    dibutyl ether 10.25
    2,6-dimethyl-4-heptanol 19.9
    DEF 88.38
    dimethyl isosorbide 113.41
    tetrachloroethylene 32.01
    eugenol 55.43
    triacetin 36.79
    span 80 93.83
    1,4-butanediol 343.17
    1,1-dichloroethane 5.0
    2-methyl-1-pentanol 44.19
    methyl formate 252.5
    2-methyl-1-butanol 111.49
    n-decane 1.63
    butyronitrile 29.04
    3,7-dimethyl-1-octanol 22.04
    1-chlorooctane 5.02
    1-chlorotetradecane 2.24
    n-nonane 1.56
    undecane 1.28
    tert-butylcyclohexane 1.94
    cyclooctane 2.35
    cyclopentanol 238.79
    tetrahydropyran 58.08
    tert-amyl methyl ether 17.74
    2,5,8-trioxanonane 147.14
    1-hexene 3.69
    2-isopropoxyethanol 109.84
    2,2,2-trifluoroethanol 323.09
    methyl butyrate 33.27

    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