16-Heptadecyne-1,2,4-triol, 1-acetate, (2S,4S)-

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  • Identifiers

    CAS number
    24607-06-5

    Molecular formula
    C19H34O4

    SMILES
    CC(=O)OC[C@H](C[C@H](CCCCCCCCCCCC#C)O)O

    Safety labels

  • Odor profile

    Fragrance
    Fresh 40.65%
    Waxy 40.19%
    Sweet 36.16%
    Fatty 34.58%
    Citrus 32.25%
    Oily 31.88%
    Floral 30.77%
    Odorless 26.83%
    Lactonic 26.47%
    Milky 26.02%

     

    Flavor
    Mild 36.58%
    Odorless 32.06%
    Waxy 29.95%
    Bland 28.75%
    Woody 28.06%
    Floral 26.45%
    Fatty 25.39%
    Oily 25.07%
    Slightly waxy 21.71%
    Bay oil 21.19%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    7.18 (neutral)

    Molecular weight
    326.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    440°C

    Flash point

    • 188.77 ˚C est.

  • Synonyms

    • 24607-06-5
    • 16-Heptadecyne-1,2,4-triol, 1-acetate, (2S,4S)-
    • [(2S,4S)-2,4-dihydroxyheptadec-16-ynyl] acetate
    • ((2S,4S)-2,4-dihydroxyheptadec-16-ynyl) acetate
    • RefChem:78989
    • (2S,4S)-2,4-DIHYDROXYHEPTADEC-16-YN-1-YL ACETATE
    • AVOCADYNE ACETATE
    • 1-?Acetoxy-?2,?4-?dihydroxyheptadec-?16-?yne
    • SCHEMBL12235380
    • DTXSID80947505
    • (2s,4s)-2,4-dihydroxyheptadec-16-ynyl acetate
    • 24607-06-5

  • Applications

    16-Heptadecyne-1,2,4-triol, 1-acetate, (2S,4S)- (CAS 24607-06-5) is a long-chain aliphatic triol acetate commonly used as a specialty intermediate and functional additive across several industries. In cosmetics and personal care, it may serve as an emollient or lipophilic ester intermediate in formulations; in coatings, inks, and adhesives, it can function as a reactive polyol or plasticizer component that helps tune film formation and flexibility; in polymers and plastics, it is evaluated as a polyol building block for polyurethane or other resin systems; in industrial manufacturing, it may be used to prepare specialty esters or surfactants. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 34.9
    methanol 109.59
    isopropanol 15.4
    water 0.5
    ethyl acetate 20.17
    n-propanol 23.58
    acetone 49.53
    n-butanol 18.92
    acetonitrile 15.43
    DMF 180.0
    toluene 5.35
    isobutanol 16.66
    1,4-dioxane 49.1
    methyl acetate 24.56
    THF 154.38
    2-butanone 32.63
    n-pentanol 19.94
    sec-butanol 14.65
    n-hexane 0.9
    ethylene glycol 19.81
    NMP 177.52
    cyclohexane 2.16
    DMSO 510.96
    n-butyl acetate 25.93
    n-octanol 14.23
    chloroform 59.79
    n-propyl acetate 33.29
    acetic acid 92.26
    dichloromethane 67.34
    cyclohexanone 93.88
    propylene glycol 26.27
    isopropyl acetate 19.37
    DMAc 199.47
    2-ethoxyethanol 83.02
    isopentanol 20.33
    n-heptane 1.01
    ethyl formate 32.2
    1,2-dichloroethane 46.94
    n-hexanol 15.43
    2-methoxyethanol 111.23
    isobutyl acetate 21.97
    tetrachloromethane 10.77
    n-pentyl acetate 29.35
    transcutol 237.75
    n-heptanol 14.02
    ethylbenzene 6.29
    MIBK 26.42
    2-propoxyethanol 60.79
    tert-butanol 26.05
    MTBE 12.61
    2-butoxyethanol 55.89
    propionic acid 41.84
    o-xylene 7.48
    formic acid 82.42
    diethyl ether 9.47
    m-xylene 5.8
    p-xylene 8.05
    chlorobenzene 13.02
    dimethyl carbonate 19.12
    n-octane 0.65
    formamide 112.78
    cyclopentanone 133.48
    2-pentanone 29.25
    anisole 21.55
    cyclopentyl methyl ether 37.56
    gamma-butyrolactone 139.43
    1-methoxy-2-propanol 67.9
    pyridine 34.42
    3-pentanone 21.59
    furfural 137.68
    n-dodecane 0.64
    diethylene glycol 62.67
    diisopropyl ether 3.74
    tert-amyl alcohol 22.93
    acetylacetone 62.52
    n-hexadecane 0.73
    acetophenone 37.17
    methyl propionate 23.33
    isopentyl acetate 27.16
    trichloroethylene 89.23
    n-nonanol 13.84
    cyclohexanol 25.04
    benzyl alcohol 25.81
    2-ethylhexanol 12.4
    isooctanol 12.7
    dipropyl ether 12.22
    1,2-dichlorobenzene 19.27
    ethyl lactate 31.69
    propylene carbonate 72.71
    n-methylformamide 76.4
    2-pentanol 10.08
    n-pentane 0.49
    1-propoxy-2-propanol 42.23
    1-methoxy-2-propyl acetate 38.9
    2-(2-methoxypropoxy) propanol 58.79
    mesitylene 4.73
    ε-caprolactone 80.46
    p-cymene 6.16
    epichlorohydrin 117.45
    1,1,1-trichloroethane 30.19
    2-aminoethanol 39.94
    morpholine-4-carbaldehyde 141.3
    sulfolane 301.45
    2,2,4-trimethylpentane 0.94
    2-methyltetrahydrofuran 51.09
    n-hexyl acetate 34.2
    isooctane 0.55
    2-(2-butoxyethoxy)ethanol 78.45
    sec-butyl acetate 19.83
    tert-butyl acetate 30.87
    decalin 1.91
    glycerin 66.37
    diglyme 174.03
    acrylic acid 44.39
    isopropyl myristate 11.93
    n-butyric acid 54.57
    acetyl acetate 24.46
    di(2-ethylhexyl) phthalate 20.04
    ethyl propionate 24.5
    nitromethane 145.67
    1,2-diethoxyethane 35.45
    benzonitrile 22.5
    trioctyl phosphate 13.94
    1-bromopropane 12.49
    gamma-valerolactone 191.39
    n-decanol 9.29
    triethyl phosphate 22.05
    4-methyl-2-pentanol 9.11
    propionitrile 13.76
    vinylene carbonate 63.5
    1,1,2-trichlorotrifluoroethane 152.2
    DMS 28.93
    cumene 6.21
    2-octanol 8.47
    2-hexanone 31.39
    octyl acetate 16.59
    limonene 9.18
    1,2-dimethoxyethane 121.8
    ethyl orthosilicate 20.44
    tributyl phosphate 18.23
    diacetone alcohol 56.16
    N,N-dimethylaniline 20.23
    acrylonitrile 22.07
    aniline 14.83
    1,3-propanediol 44.99
    bromobenzene 11.22
    dibromomethane 34.17
    1,1,2,2-tetrachloroethane 89.81
    2-methyl-cyclohexyl acetate 30.53
    tetrabutyl urea 27.58
    diisobutyl methanol 8.0
    2-phenylethanol 22.73
    styrene 6.72
    dioctyl adipate 29.66
    dimethyl sulfate 63.33
    ethyl butyrate 25.54
    methyl lactate 38.54
    butyl lactate 40.53
    diethyl carbonate 19.69
    propanediol butyl ether 60.97
    triethyl orthoformate 25.01
    p-tert-butyltoluene 6.03
    methyl 4-tert-butylbenzoate 45.96
    morpholine 74.81
    tert-butylamine 11.33
    n-dodecanol 6.48
    dimethoxymethane 61.97
    ethylene carbonate 51.28
    cyrene 73.31
    2-ethoxyethyl acetate 46.58
    2-ethylhexyl acetate 20.6
    1,2,4-trichlorobenzene 24.72
    4-methylpyridine 28.53
    dibutyl ether 14.59
    2,6-dimethyl-4-heptanol 8.0
    DEF 53.12
    dimethyl isosorbide 100.68
    tetrachloroethylene 60.49
    eugenol 51.01
    triacetin 61.96
    span 80 47.09
    1,4-butanediol 22.36
    1,1-dichloroethane 22.54
    2-methyl-1-pentanol 20.27
    methyl formate 54.51
    2-methyl-1-butanol 18.29
    n-decane 1.21
    butyronitrile 15.47
    3,7-dimethyl-1-octanol 13.54
    1-chlorooctane 7.1
    1-chlorotetradecane 2.4
    n-nonane 1.03
    undecane 0.83
    tert-butylcyclohexane 1.57
    cyclooctane 0.75
    cyclopentanol 34.15
    tetrahydropyran 38.61
    tert-amyl methyl ether 14.01
    2,5,8-trioxanonane 110.08
    1-hexene 3.97
    2-isopropoxyethanol 47.8
    2,2,2-trifluoroethanol 47.96
    methyl butyrate 42.98

    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