1,10-Nonacosanediol

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  • Identifiers

    CAS number
    180005-29-2

    Molecular formula
    C29H60O2

    SMILES
    CCCCCCCCCCCCCCCCCCCC(CCCCCCCCCO)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 65.77%
    Fatty 55.44%
    Oily 52.16%
    Fruity 31.61%
    Odorless 30.13%
    Floral 25.88%
    Clean 25.67%
    Woody 24.7%
    Fresh 24.28%
    Sweet 23.54%

     

    Flavor
    Waxy 55.17%
    Fatty 38.67%
    Mild 36.34%
    Fat 29.83%
    Bland 28.71%
    Flower 26.76%
    Wax 26.56%
    Oily 26.15%
    Faint 25.11%
    Soapy 25.09%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    12.4

    pKa est.
    8.52 (weak base)

    Molecular weight
    440.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    543°C

    Flash point

    • 245.35 ˚C est.

  • Synonyms

    • 1,10-Nonacosanediol
    • 180005-29-2
    • RefChem:71157
    • Nonacosane-1,10-diol
    • nonacosan-10-ol alcohol
    • DTXSID101315453
    • 180005-29-2

  • Applications

    1,10-Nonacosanediol (CAS 180005-29-2) is used mainly as a long-chain polyol in the synthesis of polyurethane and polyester resins, acting as a monomer or chain extender to tune polymer flexibility, toughness, and heat resistance. It can also function as an internal plasticizer and as a component in polyurethane-based coatings, varnishes, and adhesives. In coatings and inks, the diol may appear as a polyol component for polyurethane finishes and bonded plastics. Additionally, it can serve as a component in industrial lubricants or lubricant additives for plastics and metalworking formulations. In cosmetics and personal care, it may be considered as an emollient or conditioning agent in certain formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.64
    methanol 2.16
    isopropanol 1.64
    water 0.02
    ethyl acetate 20.48
    n-propanol 2.81
    acetone 10.14
    n-butanol 3.84
    acetonitrile 2.2
    DMF 21.88
    toluene 8.05
    isobutanol 3.36
    1,4-dioxane 28.05
    methyl acetate 12.03
    THF 107.14
    2-butanone 17.78
    n-pentanol 4.24
    sec-butanol 3.84
    n-hexane 3.72
    ethylene glycol 0.28
    NMP 122.57
    cyclohexane 21.34
    DMSO 45.55
    n-butyl acetate 42.0
    n-octanol 14.13
    chloroform 82.4
    n-propyl acetate 36.52
    acetic acid 7.66
    dichloromethane 71.86
    cyclohexanone 91.22
    propylene glycol 0.93
    isopropyl acetate 29.66
    DMAc 70.64
    2-ethoxyethanol 12.19
    isopentanol 6.55
    n-heptane 8.89
    ethyl formate 9.37
    1,2-dichloroethane 43.26
    n-hexanol 5.48
    2-methoxyethanol 10.84
    isobutyl acetate 29.68
    tetrachloromethane 27.03
    n-pentyl acetate 84.71
    transcutol 146.08
    n-heptanol 11.47
    ethylbenzene 9.6
    MIBK 29.66
    2-propoxyethanol 17.01
    tert-butanol 6.41
    MTBE 19.08
    2-butoxyethanol 34.83
    propionic acid 7.9
    o-xylene 11.86
    formic acid 1.78
    diethyl ether 9.86
    m-xylene 8.94
    p-xylene 14.07
    chlorobenzene 18.15
    dimethyl carbonate 9.22
    n-octane 4.52
    formamide 3.18
    cyclopentanone 93.76
    2-pentanone 21.07
    anisole 20.96
    cyclopentyl methyl ether 60.35
    gamma-butyrolactone 91.75
    1-methoxy-2-propanol 14.8
    pyridine 24.72
    3-pentanone 23.46
    furfural 60.81
    n-dodecane 2.15
    diethylene glycol 5.95
    diisopropyl ether 11.44
    tert-amyl alcohol 11.47
    acetylacetone 40.46
    n-hexadecane 2.64
    acetophenone 35.38
    methyl propionate 18.54
    isopentyl acetate 54.27
    trichloroethylene 85.82
    n-nonanol 16.62
    cyclohexanol 16.47
    benzyl alcohol 9.18
    2-ethylhexanol 12.74
    isooctanol 16.28
    dipropyl ether 40.11
    1,2-dichlorobenzene 32.73
    ethyl lactate 17.98
    propylene carbonate 64.79
    n-methylformamide 6.12
    2-pentanol 4.41
    n-pentane 2.14
    1-propoxy-2-propanol 29.35
    1-methoxy-2-propyl acetate 55.13
    2-(2-methoxypropoxy) propanol 46.83
    mesitylene 10.11
    ε-caprolactone 95.55
    p-cymene 16.28
    epichlorohydrin 75.35
    1,1,1-trichloroethane 66.04
    2-aminoethanol 1.23
    morpholine-4-carbaldehyde 65.87
    sulfolane 231.18
    2,2,4-trimethylpentane 5.0
    2-methyltetrahydrofuran 67.57
    n-hexyl acetate 70.49
    isooctane 2.64
    2-(2-butoxyethoxy)ethanol 52.6
    sec-butyl acetate 36.96
    tert-butyl acetate 65.01
    decalin 9.82
    glycerin 2.71
    diglyme 147.27
    acrylic acid 5.8
    isopropyl myristate 27.95
    n-butyric acid 21.06
    acetyl acetate 21.39
    di(2-ethylhexyl) phthalate 20.73
    ethyl propionate 35.46
    nitromethane 18.98
    1,2-diethoxyethane 60.47
    benzonitrile 12.8
    trioctyl phosphate 16.57
    1-bromopropane 24.26
    gamma-valerolactone 126.21
    n-decanol 10.01
    triethyl phosphate 48.73
    4-methyl-2-pentanol 6.29
    propionitrile 4.1
    vinylene carbonate 41.07
    1,1,2-trichlorotrifluoroethane 66.98
    DMS 31.24
    cumene 10.12
    2-octanol 13.25
    2-hexanone 29.57
    octyl acetate 28.96
    limonene 30.96
    1,2-dimethoxyethane 49.27
    ethyl orthosilicate 51.03
    tributyl phosphate 24.06
    diacetone alcohol 48.45
    N,N-dimethylaniline 22.13
    acrylonitrile 4.16
    aniline 8.07
    1,3-propanediol 3.07
    bromobenzene 24.74
    dibromomethane 47.45
    1,1,2,2-tetrachloroethane 103.74
    2-methyl-cyclohexyl acetate 64.57
    tetrabutyl urea 38.99
    diisobutyl methanol 16.3
    2-phenylethanol 11.21
    styrene 9.5
    dioctyl adipate 51.44
    dimethyl sulfate 34.78
    ethyl butyrate 62.11
    methyl lactate 11.27
    butyl lactate 52.53
    diethyl carbonate 34.49
    propanediol butyl ether 25.97
    triethyl orthoformate 72.36
    p-tert-butyltoluene 16.27
    methyl 4-tert-butylbenzoate 74.74
    morpholine 35.39
    tert-butylamine 5.45
    n-dodecanol 6.94
    dimethoxymethane 18.3
    ethylene carbonate 37.97
    cyrene 49.1
    2-ethoxyethyl acetate 81.23
    2-ethylhexyl acetate 51.76
    1,2,4-trichlorobenzene 43.3
    4-methylpyridine 22.43
    dibutyl ether 49.26
    2,6-dimethyl-4-heptanol 16.3
    DEF 39.0
    dimethyl isosorbide 132.95
    tetrachloroethylene 63.43
    eugenol 46.61
    triacetin 91.55
    span 80 41.62
    1,4-butanediol 1.49
    1,1-dichloroethane 28.65
    2-methyl-1-pentanol 7.42
    methyl formate 5.67
    2-methyl-1-butanol 6.39
    n-decane 5.85
    butyronitrile 5.68
    3,7-dimethyl-1-octanol 19.38
    1-chlorooctane 22.75
    1-chlorotetradecane 6.37
    n-nonane 5.64
    undecane 3.24
    tert-butylcyclohexane 7.39
    cyclooctane 7.49
    cyclopentanol 15.43
    tetrahydropyran 47.16
    tert-amyl methyl ether 27.99
    2,5,8-trioxanonane 84.03
    1-hexene 6.68
    2-isopropoxyethanol 12.85
    2,2,2-trifluoroethanol 6.48
    methyl butyrate 49.28

    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