1,2-Octacosanediol

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  • Identifiers

    CAS number
    97338-11-9

    Molecular formula
    C28H58O2

    SMILES
    CCCCCCCCCCCCCCCCCCCCCCCCCCC(CO)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 78.96%
    Fatty 52.74%
    Oily 39.97%
    Odorless 34.94%
    Fishy 18.69%
    Clean 16.63%
    Savory 15.55%
    Creamy 15.54%
    Animal 15.19%
    Sweet 15.17%

     

    Flavor
    Waxy 52.07%
    Mild 36.87%
    Bland 33.28%
    Fatty 32.17%
    Alkane 28.87%
    Faint 26.66%
    Fat 24.57%
    Slightly waxy 23.95%
    Odorless 22.85%
    Delicate 22.78%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    12.6

    pKa est.
    8.99 (weak base)

    Molecular weight
    426.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    542°C

    Flash point

    • 247.45 ˚C est.

  • Synonyms

    • Octacosane-1,2-diol
    • Octacosanyl glycol
    • 1,2-Octacosanediol
    • UNII-D573UZO39L
    • D573UZO39L
    • EINECS 306-603-8
    • 1,2-dihydroxyoctacosane
    • CHEBI:84961
    • DTXSID50913974
    • RefChem:72111
    • (+-)-OCTACOSANYL GLYCOL
    • OCTACOSANYL GLYCOL [INCI]
    • DTXCID401342970
    • OCTACOSANYL GLYCOL, (+-)-
    • 97338-11-9
    • SCHEMBL28318090
    • HEEAULSOEVDNKQ-UHFFFAOYSA-N
    • (+/-)-OCTACOSANYL GLYCOL
    • OCTACOSANYL GLYCOL, (+/-)-
    • NS00013911
    • Q27158224
    • 97338-11-9

  • Applications

    1,2-Octacosanediol (CAS 97338-11-9) is used as a diol building block in polymer synthesis, commonly in polyurethane and polyester formulations to impart flexibility and a hydrophobic tail; in cosmetics and personal care it serves as an emollient and humectant to help soften skin and hair; in industrial formulations it is a precursor to long-chain esters for surfactants, coatings and inks, and can act as a plasticizer or processing aid in polymers and coatings; it may also be evaluated as a specialty lubricant additive in certain formulations, with performance dependent on concentration and compatibility.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.01
    methanol 1.38
    isopropanol 1.03
    water 0.02
    ethyl acetate 12.5
    n-propanol 1.77
    acetone 6.29
    n-butanol 2.42
    acetonitrile 1.51
    DMF 14.3
    toluene 5.21
    isobutanol 2.1
    1,4-dioxane 18.69
    methyl acetate 7.83
    THF 69.86
    2-butanone 11.45
    n-pentanol 2.99
    sec-butanol 2.51
    n-hexane 2.76
    ethylene glycol 0.21
    NMP 81.32
    cyclohexane 14.57
    DMSO 30.73
    n-butyl acetate 28.22
    n-octanol 10.47
    chloroform 54.86
    n-propyl acetate 24.56
    acetic acid 5.02
    dichloromethane 46.77
    cyclohexanone 59.82
    propylene glycol 0.65
    isopropyl acetate 18.47
    DMAc 47.43
    2-ethoxyethanol 8.94
    isopentanol 4.26
    n-heptane 6.97
    ethyl formate 6.18
    1,2-dichloroethane 28.4
    n-hexanol 3.86
    2-methoxyethanol 7.2
    isobutyl acetate 20.04
    tetrachloromethane 19.46
    n-pentyl acetate 59.47
    transcutol 106.61
    n-heptanol 8.61
    ethylbenzene 6.84
    MIBK 18.82
    2-propoxyethanol 11.91
    tert-butanol 4.13
    MTBE 12.79
    2-butoxyethanol 25.68
    propionic acid 5.15
    o-xylene 8.3
    formic acid 1.27
    diethyl ether 6.38
    m-xylene 6.26
    p-xylene 9.85
    chlorobenzene 11.77
    dimethyl carbonate 6.31
    n-octane 3.74
    formamide 2.37
    cyclopentanone 60.52
    2-pentanone 12.9
    anisole 14.44
    cyclopentyl methyl ether 39.87
    gamma-butyrolactone 60.16
    1-methoxy-2-propanol 9.63
    pyridine 16.46
    3-pentanone 15.12
    furfural 41.8
    n-dodecane 1.75
    diethylene glycol 4.14
    diisopropyl ether 8.01
    tert-amyl alcohol 7.7
    acetylacetone 25.48
    n-hexadecane 2.14
    acetophenone 24.91
    methyl propionate 11.91
    isopentyl acetate 36.77
    trichloroethylene 57.58
    n-nonanol 12.38
    cyclohexanol 10.66
    benzyl alcohol 6.36
    2-ethylhexanol 9.07
    isooctanol 12.3
    dipropyl ether 28.11
    1,2-dichlorobenzene 22.43
    ethyl lactate 12.78
    propylene carbonate 42.22
    n-methylformamide 4.15
    2-pentanol 2.95
    n-pentane 1.53
    1-propoxy-2-propanol 20.73
    1-methoxy-2-propyl acetate 36.65
    2-(2-methoxypropoxy) propanol 34.9
    mesitylene 7.43
    ε-caprolactone 61.95
    p-cymene 12.17
    epichlorohydrin 50.46
    1,1,1-trichloroethane 44.13
    2-aminoethanol 0.85
    morpholine-4-carbaldehyde 45.18
    sulfolane 159.79
    2,2,4-trimethylpentane 3.89
    2-methyltetrahydrofuran 44.66
    n-hexyl acetate 49.27
    isooctane 2.03
    2-(2-butoxyethoxy)ethanol 39.01
    sec-butyl acetate 25.41
    tert-butyl acetate 43.82
    decalin 7.56
    glycerin 1.94
    diglyme 108.9
    acrylic acid 3.89
    isopropyl myristate 20.24
    n-butyric acid 12.85
    acetyl acetate 13.53
    di(2-ethylhexyl) phthalate 15.33
    ethyl propionate 23.64
    nitromethane 12.49
    1,2-diethoxyethane 44.15
    benzonitrile 8.82
    trioctyl phosphate 12.05
    1-bromopropane 16.36
    gamma-valerolactone 84.24
    n-decanol 7.54
    triethyl phosphate 36.17
    4-methyl-2-pentanol 4.22
    propionitrile 2.73
    vinylene carbonate 26.73
    1,1,2-trichlorotrifluoroethane 46.49
    DMS 21.9
    cumene 7.56
    2-octanol 10.25
    2-hexanone 19.77
    octyl acetate 20.91
    limonene 22.09
    1,2-dimethoxyethane 35.17
    ethyl orthosilicate 38.17
    tributyl phosphate 17.45
    diacetone alcohol 32.61
    N,N-dimethylaniline 16.28
    acrylonitrile 2.78
    aniline 5.08
    1,3-propanediol 1.97
    bromobenzene 16.39
    dibromomethane 31.67
    1,1,2,2-tetrachloroethane 71.0
    2-methyl-cyclohexyl acetate 46.08
    tetrabutyl urea 28.11
    diisobutyl methanol 12.32
    2-phenylethanol 7.83
    styrene 6.43
    dioctyl adipate 37.48
    dimethyl sulfate 23.68
    ethyl butyrate 42.53
    methyl lactate 7.73
    butyl lactate 37.44
    diethyl carbonate 23.93
    propanediol butyl ether 19.21
    triethyl orthoformate 52.56
    p-tert-butyltoluene 12.41
    methyl 4-tert-butylbenzoate 54.42
    morpholine 23.15
    tert-butylamine 3.53
    n-dodecanol 5.29
    dimethoxymethane 11.85
    ethylene carbonate 24.38
    cyrene 36.21
    2-ethoxyethyl acetate 56.65
    2-ethylhexyl acetate 35.47
    1,2,4-trichlorobenzene 29.88
    4-methylpyridine 14.18
    dibutyl ether 36.98
    2,6-dimethyl-4-heptanol 12.32
    DEF 25.33
    dimethyl isosorbide 97.53
    tetrachloroethylene 44.37
    eugenol 35.24
    triacetin 64.76
    span 80 30.35
    1,4-butanediol 1.11
    1,1-dichloroethane 18.24
    2-methyl-1-pentanol 5.45
    methyl formate 3.78
    2-methyl-1-butanol 4.16
    n-decane 4.66
    butyronitrile 3.78
    3,7-dimethyl-1-octanol 14.13
    1-chlorooctane 17.11
    1-chlorotetradecane 4.88
    n-nonane 4.54
    undecane 2.62
    tert-butylcyclohexane 5.81
    cyclooctane 5.71
    cyclopentanol 10.13
    tetrahydropyran 29.86
    tert-amyl methyl ether 18.93
    2,5,8-trioxanonane 62.99
    1-hexene 4.66
    2-isopropoxyethanol 9.57
    2,2,2-trifluoroethanol 4.6
    methyl butyrate 32.84

    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