6,8-Nonacosanediol

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  • Identifiers

    CAS number
    96850-33-8

    Molecular formula
    C29H60O2

    SMILES
    CCCCCCCCCCCCCCCCCCCCCC(CC(CCCCC)O)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 63.55%
    Fatty 59.78%
    Oily 56.56%
    Fruity 36.04%
    Odorless 28.36%
    Floral 26.09%
    Woody 24.36%
    Fresh 24.27%
    Creamy 22.44%
    Clean 22.31%

     

    Flavor
    Waxy 43.07%
    Mild 34.33%
    Fatty 32.99%
    Bland 31.82%
    Fat 26.44%
    Faint 25.87%
    Slightly waxy 24.04%
    Delicate 23.46%
    Oily 23.04%
    Odorless 22.94%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    12.7

    pKa est.
    8.38 (weak base)

    Molecular weight
    440.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    528°C

    Melting point expt.

    • 72 - 74 °C

    Flash point

    • 231.01 ˚C est.

  • Synonyms

    • 6,8-Nonacosanediol
    • 6,8-dihydroxynonacosane
    • 96850-33-8
    • RefChem:913707
    • Nonacosane-6,8-diol
    • erythro-6,8-Nonacosanediol
    • CCRIS 7244
    • CHEMBL336634
    • SCHEMBL26624758
    • DTXSID00914279
    • CHEBI:184752
    • LMFA05000656
    • 96850-33-8

  • Applications

    6,8-Nonacosanediol (CAS 96850-33-8) is a long-chain aliphatic diol that is primarily used as a monomer or chain extender in the synthesis of polyesters and polyurethanes; in industrial manufacturing, it can be incorporated into specialty polymers to impart flexibility, hydrophobicity, and improved abrasion resistance. It is commonly evaluated for use in coatings and inks, where it can form part of alkyd or polyurethane resins to improve film properties. It is also used as an intermediate in the production of specialty plastics and adhesives, serving as a diol building block for PVC-free or bio-based resin systems. In lubricants and lubricant-related formulations, it may act as a component or additive providing lubricity and temperature stability. In cosmetics/personal care, long-chain diols like this can be used as emollients or conditioning agents in certain formulations. Note: Applications depend on local regulations, purity, and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.25
    methanol 8.77
    isopropanol 8.43
    water 0.06
    ethyl acetate 74.67
    n-propanol 12.2
    acetone 45.01
    n-butanol 15.69
    acetonitrile 9.01
    DMF 77.44
    toluene 27.24
    isobutanol 14.69
    1,4-dioxane 93.83
    methyl acetate 45.42
    THF 337.34
    2-butanone 67.44
    n-pentanol 14.25
    sec-butanol 16.75
    n-hexane 13.8
    ethylene glycol 0.99
    NMP 356.17
    cyclohexane 81.1
    DMSO 144.31
    n-butyl acetate 129.03
    n-octanol 42.14
    chloroform 227.89
    n-propyl acetate 113.87
    acetic acid 28.85
    dichloromethane 209.34
    cyclohexanone 300.62
    propylene glycol 3.5
    isopropyl acetate 96.97
    DMAc 208.09
    2-ethoxyethanol 36.51
    isopentanol 25.05
    n-heptane 26.7
    ethyl formate 33.46
    1,2-dichloroethane 138.39
    n-hexanol 18.34
    2-methoxyethanol 34.67
    isobutyl acetate 92.75
    tetrachloromethane 82.95
    n-pentyl acetate 245.71
    transcutol 312.56
    n-heptanol 35.62
    ethylbenzene 28.07
    MIBK 96.57
    2-propoxyethanol 50.75
    tert-butanol 27.69
    MTBE 63.38
    2-butoxyethanol 95.99
    propionic acid 30.36
    o-xylene 35.6
    formic acid 5.89
    diethyl ether 38.09
    m-xylene 27.56
    p-xylene 44.15
    chlorobenzene 59.37
    dimethyl carbonate 29.86
    n-octane 12.81
    formamide 10.96
    cyclopentanone 309.21
    2-pentanone 79.22
    anisole 57.11
    cyclopentyl methyl ether 191.39
    gamma-butyrolactone 282.14
    1-methoxy-2-propanol 48.96
    pyridine 81.6
    3-pentanone 81.36
    furfural 158.16
    n-dodecane 5.6
    diethylene glycol 17.45
    diisopropyl ether 36.23
    tert-amyl alcohol 42.17
    acetylacetone 127.09
    n-hexadecane 7.01
    acetophenone 98.15
    methyl propionate 63.8
    isopentyl acetate 155.28
    trichloroethylene 243.52
    n-nonanol 46.76
    cyclohexanol 65.15
    benzyl alcohol 28.21
    2-ethylhexanol 38.94
    isooctanol 48.01
    dipropyl ether 118.18
    1,2-dichlorobenzene 90.38
    ethyl lactate 49.89
    propylene carbonate 189.61
    n-methylformamide 22.98
    2-pentanol 17.67
    n-pentane 8.45
    1-propoxy-2-propanol 85.11
    1-methoxy-2-propyl acetate 147.38
    2-(2-methoxypropoxy) propanol 99.53
    mesitylene 29.17
    ε-caprolactone 289.81
    p-cymene 41.92
    epichlorohydrin 222.29
    1,1,1-trichloroethane 204.3
    2-aminoethanol 4.43
    morpholine-4-carbaldehyde 180.96
    sulfolane 638.78
    2,2,4-trimethylpentane 14.67
    2-methyltetrahydrofuran 221.43
    n-hexyl acetate 206.15
    isooctane 7.8
    2-(2-butoxyethoxy)ethanol 122.07
    sec-butyl acetate 108.4
    tert-butyl acetate 179.14
    decalin 28.1
    glycerin 8.44
    diglyme 319.68
    acrylic acid 20.83
    isopropyl myristate 75.1
    n-butyric acid 76.11
    acetyl acetate 66.99
    di(2-ethylhexyl) phthalate 52.36
    ethyl propionate 105.11
    nitromethane 65.39
    1,2-diethoxyethane 153.87
    benzonitrile 38.98
    trioctyl phosphate 44.76
    1-bromopropane 78.86
    gamma-valerolactone 359.45
    n-decanol 28.36
    triethyl phosphate 109.52
    4-methyl-2-pentanol 21.61
    propionitrile 15.13
    vinylene carbonate 124.57
    1,1,2-trichlorotrifluoroethane 174.05
    DMS 87.34
    cumene 27.5
    2-octanol 40.12
    2-hexanone 91.61
    octyl acetate 83.77
    limonene 82.85
    1,2-dimethoxyethane 133.72
    ethyl orthosilicate 113.51
    tributyl phosphate 62.52
    diacetone alcohol 137.74
    N,N-dimethylaniline 56.11
    acrylonitrile 15.07
    aniline 28.17
    1,3-propanediol 11.07
    bromobenzene 74.9
    dibromomethane 139.71
    1,1,2,2-tetrachloroethane 278.75
    2-methyl-cyclohexyl acetate 167.06
    tetrabutyl urea 99.72
    diisobutyl methanol 44.54
    2-phenylethanol 32.0
    styrene 28.47
    dioctyl adipate 128.88
    dimethyl sulfate 98.18
    ethyl butyrate 166.39
    methyl lactate 35.28
    butyl lactate 144.01
    diethyl carbonate 86.98
    propanediol butyl ether 68.16
    triethyl orthoformate 169.85
    p-tert-butyltoluene 41.16
    methyl 4-tert-butylbenzoate 171.98
    morpholine 121.47
    tert-butylamine 22.73
    n-dodecanol 19.36
    dimethoxymethane 60.01
    ethylene carbonate 121.3
    cyrene 113.95
    2-ethoxyethyl acetate 212.35
    2-ethylhexyl acetate 144.09
    1,2,4-trichlorobenzene 116.29
    4-methylpyridine 75.37
    dibutyl ether 132.55
    2,6-dimethyl-4-heptanol 44.54
    DEF 122.36
    dimethyl isosorbide 285.64
    tetrachloroethylene 177.54
    eugenol 106.66
    triacetin 221.27
    span 80 102.17
    1,4-butanediol 4.96
    1,1-dichloroethane 101.51
    2-methyl-1-pentanol 23.3
    methyl formate 21.27
    2-methyl-1-butanol 24.0
    n-decane 15.3
    butyronitrile 21.67
    3,7-dimethyl-1-octanol 52.76
    1-chlorooctane 62.36
    1-chlorotetradecane 17.49
    n-nonane 15.32
    undecane 8.53
    tert-butylcyclohexane 20.45
    cyclooctane 24.28
    cyclopentanol 64.92
    tetrahydropyran 171.09
    tert-amyl methyl ether 81.62
    2,5,8-trioxanonane 177.17
    1-hexene 24.03
    2-isopropoxyethanol 39.51
    2,2,2-trifluoroethanol 21.83
    methyl butyrate 147.21

    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