1,3-Decanediol

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  • Identifiers

    CAS number
    6071-27-8

    Molecular formula
    C10H22O2

    SMILES
    CCCCCCCC(CCO)O

    Safety labels

  • Odor profile

    Fragrance
    Oily 63.67%
    Sweet 48.34%
    Fatty 47.86%
    Floral 46.51%
    Fresh 45.68%
    Fruity 44.28%
    Waxy 43.96%
    Citrus 43.16%
    Earthy 38.23%
    Mushroom 37.86%

     

    Flavor
    Green 56.18%
    Floral 47.09%
    Mushroom 46.08%
    Waxy 45.53%
    Fatty 44.85%
    Fresh 42.21%
    Earthy 40.57%
    Citrus 40.36%
    Oily 39.84%
    Woody 35.55%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    8.03 (weak base)

    Molecular weight
    174.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    282°C

    Flash point

    • 134.44 ˚C est.

  • Synonyms

    • 1,3-Decanediol
    • BRN 1848272
    • 6071-27-8
    • RefChem:72558
    • decane-1,3-diol
    • 1,3-dihydroxydecane
    • SCHEMBL455543
    • SCHEMBL6657832
    • SCHEMBL9472853
    • SCHEMBL29090024
    • DTXSID80976153
    • ANWMPOLHSRXCNH-UHFFFAOYSA-N
    • CHEBI:195415
    • 6071-27-8

  • Applications

    1,3-Decanediol (CAS 6071-27-8) is commonly used as a diol building block in polymers, notably as a chain extender or flexible segment in polyesters and polyurethanes for coatings, adhesives, and elastomer applications. It also functions as a processing solvent or co-solvent in resin and coating systems, improving flow and cure characteristics. In formulation work, it may be used as an intermediate for specialty esters and plasticizers. In cosmetics and personal care, it can serve as a humectant or solvent in certain formulations. It is also encountered as a chemical intermediate in pharmaceutical synthesis under appropriate regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10867.74
    methanol 11056.54
    isopropanol 11557.57
    water 0.44
    ethyl acetate 3162.5
    n-propanol 8971.73
    acetone 8309.6
    n-butanol 7381.13
    acetonitrile 2378.6
    DMF 3786.68
    toluene 383.82
    isobutanol 6173.31
    1,4-dioxane 4349.39
    methyl acetate 1909.96
    THF 9310.27
    2-butanone 3544.85
    n-pentanol 3999.75
    sec-butanol 5614.66
    n-hexane 808.73
    ethylene glycol 951.89
    NMP 1692.28
    cyclohexane 851.98
    DMSO 8786.14
    n-butyl acetate 2780.66
    n-octanol 904.97
    chloroform 2128.42
    n-propyl acetate 2414.54
    acetic acid 3256.21
    dichloromethane 1784.65
    cyclohexanone 4478.05
    propylene glycol 1984.42
    isopropyl acetate 1955.41
    DMAc 1316.01
    2-ethoxyethanol 3246.02
    isopentanol 5150.84
    n-heptane 508.55
    ethyl formate 1607.41
    1,2-dichloroethane 1964.42
    n-hexanol 3837.7
    2-methoxyethanol 6670.2
    isobutyl acetate 1210.35
    tetrachloromethane 500.66
    n-pentyl acetate 1086.82
    transcutol 5639.8
    n-heptanol 1173.79
    ethylbenzene 230.16
    MIBK 1925.77
    2-propoxyethanol 3928.89
    tert-butanol 10286.54
    MTBE 4276.96
    2-butoxyethanol 1751.01
    propionic acid 2721.64
    o-xylene 242.78
    formic acid 739.39
    diethyl ether 4301.66
    m-xylene 319.1
    p-xylene 312.67
    chlorobenzene 514.07
    dimethyl carbonate 305.18
    n-octane 120.0
    formamide 1045.93
    cyclopentanone 4397.8
    2-pentanone 4070.4
    anisole 543.13
    cyclopentyl methyl ether 3421.65
    gamma-butyrolactone 3572.03
    1-methoxy-2-propanol 5155.22
    pyridine 1837.79
    3-pentanone 1639.47
    furfural 1638.36
    n-dodecane 54.65
    diethylene glycol 1982.73
    diisopropyl ether 1140.41
    tert-amyl alcohol 4468.98
    acetylacetone 2163.57
    n-hexadecane 62.47
    acetophenone 488.27
    methyl propionate 1739.6
    isopentyl acetate 1911.25
    trichloroethylene 2342.09
    n-nonanol 707.3
    cyclohexanol 4028.44
    benzyl alcohol 622.82
    2-ethylhexanol 1728.58
    isooctanol 886.72
    dipropyl ether 2939.54
    1,2-dichlorobenzene 421.67
    ethyl lactate 619.87
    propylene carbonate 1511.49
    n-methylformamide 2487.89
    2-pentanol 4502.06
    n-pentane 583.41
    1-propoxy-2-propanol 3244.52
    1-methoxy-2-propyl acetate 1489.76
    2-(2-methoxypropoxy) propanol 763.14
    mesitylene 236.93
    ε-caprolactone 2760.63
    p-cymene 229.64
    epichlorohydrin 3402.56
    1,1,1-trichloroethane 1473.32
    2-aminoethanol 2958.6
    morpholine-4-carbaldehyde 2053.13
    sulfolane 3419.63
    2,2,4-trimethylpentane 182.9
    2-methyltetrahydrofuran 5462.69
    n-hexyl acetate 1252.79
    isooctane 190.39
    2-(2-butoxyethoxy)ethanol 1516.19
    sec-butyl acetate 1215.42
    tert-butyl acetate 1892.97
    decalin 204.68
    glycerin 1649.96
    diglyme 2771.87
    acrylic acid 1275.48
    isopropyl myristate 368.48
    n-butyric acid 5750.06
    acetyl acetate 928.76
    di(2-ethylhexyl) phthalate 272.55
    ethyl propionate 1394.73
    nitromethane 3427.46
    1,2-diethoxyethane 2422.23
    benzonitrile 714.33
    trioctyl phosphate 280.0
    1-bromopropane 1604.37
    gamma-valerolactone 4197.25
    n-decanol 468.55
    triethyl phosphate 355.71
    4-methyl-2-pentanol 1766.23
    propionitrile 2426.42
    vinylene carbonate 965.97
    1,1,2-trichlorotrifluoroethane 1967.03
    DMS 470.98
    cumene 181.03
    2-octanol 690.89
    2-hexanone 2619.01
    octyl acetate 450.91
    limonene 603.76
    1,2-dimethoxyethane 4856.15
    ethyl orthosilicate 409.27
    tributyl phosphate 352.84
    diacetone alcohol 2280.71
    N,N-dimethylaniline 319.5
    acrylonitrile 1803.56
    aniline 891.22
    1,3-propanediol 4731.4
    bromobenzene 432.83
    dibromomethane 1487.78
    1,1,2,2-tetrachloroethane 2188.48
    2-methyl-cyclohexyl acetate 748.7
    tetrabutyl urea 412.34
    diisobutyl methanol 825.06
    2-phenylethanol 726.11
    styrene 309.26
    dioctyl adipate 501.24
    dimethyl sulfate 473.86
    ethyl butyrate 1657.21
    methyl lactate 727.29
    butyl lactate 835.95
    diethyl carbonate 637.35
    propanediol butyl ether 1375.25
    triethyl orthoformate 901.21
    p-tert-butyltoluene 242.01
    methyl 4-tert-butylbenzoate 473.87
    morpholine 6321.31
    tert-butylamine 6060.1
    n-dodecanol 331.88
    dimethoxymethane 2611.59
    ethylene carbonate 1137.28
    cyrene 543.04
    2-ethoxyethyl acetate 1051.87
    2-ethylhexyl acetate 1300.03
    1,2,4-trichlorobenzene 460.6
    4-methylpyridine 1509.57
    dibutyl ether 1492.39
    2,6-dimethyl-4-heptanol 825.06
    DEF 2520.15
    dimethyl isosorbide 1088.42
    tetrachloroethylene 1673.16
    eugenol 468.24
    triacetin 695.41
    span 80 890.62
    1,4-butanediol 1382.3
    1,1-dichloroethane 2131.91
    2-methyl-1-pentanol 2185.76
    methyl formate 1166.3
    2-methyl-1-butanol 3935.94
    n-decane 126.28
    butyronitrile 3623.29
    3,7-dimethyl-1-octanol 846.53
    1-chlorooctane 464.98
    1-chlorotetradecane 133.76
    n-nonane 145.88
    undecane 77.38
    tert-butylcyclohexane 209.33
    cyclooctane 206.93
    cyclopentanol 4843.05
    tetrahydropyran 7258.23
    tert-amyl methyl ether 1967.35
    2,5,8-trioxanonane 1364.14
    1-hexene 2171.92
    2-isopropoxyethanol 2067.16
    2,2,2-trifluoroethanol 555.13
    methyl butyrate 2319.0

    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