1,17-Heptadecanediol

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  • Identifiers

    CAS number
    66577-59-1

    Molecular formula
    C17H36O2

    SMILES
    C(CCCCCCCCO)CCCCCCCCO

    Safety labels

  • Odor profile

    Fragrance
    Waxy 63.16%
    Oily 47.95%
    Fatty 46.51%
    Floral 38.81%
    Clean 34.89%
    Sweet 33.08%
    Fresh 32.28%
    Fruity 31.37%
    Odorless 29.14%
    Citrus 28.82%

     

    Flavor
    Waxy 73.83%
    Floral 55.2%
    Fatty 50.76%
    Soapy 46.7%
    Rose 43.46%
    Clean 41.93%
    Fresh 40.55%
    Fat 39.82%
    Flower 36.37%
    Coconut 35.38%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.2

    pKa est.
    7.9 (neutral)

    Molecular weight
    272.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    366°C

    Melting point expt.

    • 96 - 96.5 °C

    Flash point

    • 190.7 ˚C est.

  • Synonyms

    • 1,17-Heptadecanediol
    • heptadecane-1,17-diol
    • 66577-59-1
    • RefChem:71210
    • 1,17-Dihydroxyheptadecane
    • SCHEMBL160055
    • J776U5XE9M
    • SCHEMBL1006956
    • SCHEMBL8499759
    • CHEBI:186629
    • DTXSID901315045
    • LMFA05000576
    • WS-03160
    • E74205
    • 66577-59-1

  • Applications

    1,17-Heptadecanediol (CAS 66577-59-1) is a long-chain aliphatic diol commonly used as a diol component in polymer synthesis. In industrial manufacturing, it serves as a chain extender and monomer for polyurethane and polyester resins, contributing to film flexibility and durability. It is frequently evaluated for use in coatings and alkyd formulations to improve film properties and gloss. As a high‑molecular‑weight, fatty diol, it can act as an internal plasticizer or lubricity-enhancing additive in polymer processing. In cosmetics and personal care, it may function as an emollient or conditioning agent due to its fatty hydrocarbon tail. It can also serve as an intermediate for the synthesis of specialty surfactants or other chemical derivatives, subject to regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 20.72
    methanol 21.49
    isopropanol 31.94
    water 0.02
    ethyl acetate 77.49
    n-propanol 32.25
    acetone 48.33
    n-butanol 43.12
    acetonitrile 15.91
    DMF 101.68
    toluene 25.37
    isobutanol 35.1
    1,4-dioxane 114.46
    methyl acetate 42.06
    THF 450.24
    2-butanone 64.67
    n-pentanol 33.34
    sec-butanol 38.26
    n-hexane 20.12
    ethylene glycol 2.68
    NMP 252.89
    cyclohexane 88.26
    DMSO 246.72
    n-butyl acetate 149.27
    n-octanol 45.17
    chloroform 226.96
    n-propyl acetate 128.28
    acetic acid 36.72
    dichloromethane 199.62
    cyclohexanone 276.01
    propylene glycol 9.49
    isopropyl acetate 94.34
    DMAc 143.59
    2-ethoxyethanol 73.98
    isopentanol 59.59
    n-heptane 42.97
    ethyl formate 42.56
    1,2-dichloroethane 154.93
    n-hexanol 45.37
    2-methoxyethanol 86.39
    isobutyl acetate 97.04
    tetrachloromethane 75.24
    n-pentyl acetate 177.06
    transcutol 382.7
    n-heptanol 48.74
    ethylbenzene 27.95
    MIBK 99.86
    2-propoxyethanol 94.04
    tert-butanol 78.33
    MTBE 87.81
    2-butoxyethanol 120.96
    propionic acid 40.1
    o-xylene 32.38
    formic acid 7.03
    diethyl ether 64.1
    m-xylene 27.8
    p-xylene 40.24
    chlorobenzene 51.53
    dimethyl carbonate 22.95
    n-octane 13.79
    formamide 14.69
    cyclopentanone 310.13
    2-pentanone 90.16
    anisole 59.87
    cyclopentyl methyl ether 207.54
    gamma-butyrolactone 285.54
    1-methoxy-2-propanol 103.39
    pyridine 90.74
    3-pentanone 70.24
    furfural 190.07
    n-dodecane 6.21
    diethylene glycol 38.22
    diisopropyl ether 46.78
    tert-amyl alcohol 74.18
    acetylacetone 115.49
    n-hexadecane 7.7
    acetophenone 89.17
    methyl propionate 58.8
    isopentyl acetate 153.15
    trichloroethylene 241.65
    n-nonanol 46.11
    cyclohexanol 104.02
    benzyl alcohol 40.09
    2-ethylhexanol 62.68
    isooctanol 57.37
    dipropyl ether 170.23
    1,2-dichlorobenzene 79.81
    ethyl lactate 58.67
    propylene carbonate 170.78
    n-methylformamide 31.55
    2-pentanol 42.96
    n-pentane 14.24
    1-propoxy-2-propanol 131.79
    1-methoxy-2-propyl acetate 133.94
    2-(2-methoxypropoxy) propanol 94.09
    mesitylene 30.02
    ε-caprolactone 229.81
    p-cymene 44.02
    epichlorohydrin 259.12
    1,1,1-trichloroethane 175.32
    2-aminoethanol 12.04
    morpholine-4-carbaldehyde 188.49
    sulfolane 596.49
    2,2,4-trimethylpentane 15.37
    2-methyltetrahydrofuran 244.01
    n-hexyl acetate 144.07
    isooctane 10.48
    2-(2-butoxyethoxy)ethanol 138.22
    sec-butyl acetate 104.34
    tert-butyl acetate 159.45
    decalin 27.09
    glycerin 20.89
    diglyme 329.87
    acrylic acid 26.05
    isopropyl myristate 59.1
    n-butyric acid 106.87
    acetyl acetate 57.04
    di(2-ethylhexyl) phthalate 42.85
    ethyl propionate 102.1
    nitromethane 72.44
    1,2-diethoxyethane 173.28
    benzonitrile 51.58
    trioctyl phosphate 39.94
    1-bromopropane 97.91
    gamma-valerolactone 353.09
    n-decanol 30.08
    triethyl phosphate 98.53
    4-methyl-2-pentanol 40.0
    propionitrile 26.96
    vinylene carbonate 104.84
    1,1,2-trichlorotrifluoroethane 212.34
    DMS 66.94
    cumene 28.3
    2-octanol 42.89
    2-hexanone 104.59
    octyl acetate 65.43
    limonene 83.8
    1,2-dimethoxyethane 197.22
    ethyl orthosilicate 102.45
    tributyl phosphate 54.49
    diacetone alcohol 153.95
    N,N-dimethylaniline 57.36
    acrylonitrile 25.53
    aniline 34.8
    1,3-propanediol 31.53
    bromobenzene 60.74
    dibromomethane 142.18
    1,1,2,2-tetrachloroethane 312.44
    2-methyl-cyclohexyl acetate 143.7
    tetrabutyl urea 78.61
    diisobutyl methanol 64.19
    2-phenylethanol 46.56
    styrene 29.93
    dioctyl adipate 97.74
    dimethyl sulfate 73.53
    ethyl butyrate 175.23
    methyl lactate 40.44
    butyl lactate 112.44
    diethyl carbonate 90.85
    propanediol butyl ether 79.53
    triethyl orthoformate 164.24
    p-tert-butyltoluene 43.27
    methyl 4-tert-butylbenzoate 128.67
    morpholine 178.42
    tert-butylamine 57.75
    n-dodecanol 22.05
    dimethoxymethane 80.1
    ethylene carbonate 104.39
    cyrene 110.95
    2-ethoxyethyl acetate 153.46
    2-ethylhexyl acetate 133.07
    1,2,4-trichlorobenzene 95.64
    4-methylpyridine 78.52
    dibutyl ether 133.82
    2,6-dimethyl-4-heptanol 64.19
    DEF 129.44
    dimethyl isosorbide 239.46
    tetrachloroethylene 204.33
    eugenol 92.69
    triacetin 155.67
    span 80 97.84
    1,4-butanediol 11.4
    1,1-dichloroethane 105.41
    2-methyl-1-pentanol 42.49
    methyl formate 23.42
    2-methyl-1-butanol 49.0
    n-decane 15.79
    butyronitrile 44.2
    3,7-dimethyl-1-octanol 56.08
    1-chlorooctane 58.44
    1-chlorotetradecane 17.78
    n-nonane 16.26
    undecane 9.06
    tert-butylcyclohexane 21.6
    cyclooctane 25.44
    cyclopentanol 109.32
    tetrahydropyran 223.66
    tert-amyl methyl ether 88.9
    2,5,8-trioxanonane 200.07
    1-hexene 36.63
    2-isopropoxyethanol 70.8
    2,2,2-trifluoroethanol 22.09
    methyl butyrate 150.4

    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