16-Heptadecyne-1,2,4-triol, 4-acetate

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  • Identifiers

    CAS number
    28884-46-0

    Molecular formula
    C19H34O4

    SMILES
    CC(=O)OC(CCCCCCCCCCCC#C)CC(CO)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 41.62%
    Fresh 39.88%
    Sweet 34.65%
    Fatty 34.36%
    Citrus 31.72%
    Floral 30.73%
    Oily 30.05%
    Odorless 26.99%
    Milky 24.96%
    Lactonic 24.88%

     

    Flavor
    Mild 36.24%
    Odorless 31.8%
    Bland 29.21%
    Waxy 29.17%
    Woody 25.03%
    Oily 24.36%
    Fatty 24.33%
    Floral 23.87%
    Slightly waxy 21.55%
    Bay oil 21.09%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    6.9 (neutral)

    Molecular weight
    326.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    436°C

    Flash point

    • 187.62 ˚C est.

  • Synonyms

    • 28884-46-0
    • 16-Heptadecyne-1,2,4-triol, 4-acetate
    • DTXSID601288405
    • RefChem:1057560
    • DTXCID601719044
    • Avocadyne 4-acetate
    • 1,2-dihydroxyheptadec-16-yn-4-yl acetate
    • Compound NP-015262
    • SCHEMBL1969639
    • CHEBI:171809
    • LMFA05000645
    • AKOS040738780
    • 28884-46-0

  • Applications

    16-Heptadecyne-1,2,4-triol, 4-acetate (CAS 28884-46-0) is commonly considered an intermediate in organic synthesis for functionalized monomers used in specialty polymers and coating systems. It may serve as a reactive plasticizer or crosslinking agent in UV-curable coatings and adhesive formulations. As a component or intermediate in polymer formulations, it can participate in niche plastic and composite materials. In the fragrance and perfumery sector, it may be evaluated as a fragrance intermediate or fixative to influence fragrance longevity. In cosmetics and personal care, it may be used as an emollient ester or processing solvent, depending on formulation and regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 90.2
    methanol 316.46
    isopropanol 36.85
    water 2.19
    ethyl acetate 48.58
    n-propanol 61.92
    acetone 111.01
    n-butanol 47.95
    acetonitrile 37.73
    DMF 357.96
    toluene 12.02
    isobutanol 41.49
    1,4-dioxane 94.91
    methyl acetate 47.99
    THF 252.52
    2-butanone 63.54
    n-pentanol 43.26
    sec-butanol 34.13
    n-hexane 2.08
    ethylene glycol 58.17
    NMP 366.55
    cyclohexane 5.95
    DMSO 904.6
    n-butyl acetate 49.66
    n-octanol 25.5
    chloroform 116.94
    n-propyl acetate 70.07
    acetic acid 216.13
    dichloromethane 147.98
    cyclohexanone 200.69
    propylene glycol 62.79
    isopropyl acetate 42.2
    DMAc 322.73
    2-ethoxyethanol 150.52
    isopentanol 45.18
    n-heptane 2.09
    ethyl formate 69.1
    1,2-dichloroethane 98.84
    n-hexanol 30.93
    2-methoxyethanol 217.46
    isobutyl acetate 43.87
    tetrachloromethane 20.64
    n-pentyl acetate 61.04
    transcutol 384.55
    n-heptanol 27.65
    ethylbenzene 12.05
    MIBK 54.19
    2-propoxyethanol 105.35
    tert-butanol 51.9
    MTBE 24.31
    2-butoxyethanol 95.83
    propionic acid 99.32
    o-xylene 15.9
    formic acid 205.61
    diethyl ether 22.0
    m-xylene 13.36
    p-xylene 15.53
    chlorobenzene 27.04
    dimethyl carbonate 38.95
    n-octane 1.25
    formamide 272.18
    cyclopentanone 262.81
    2-pentanone 66.49
    anisole 37.73
    cyclopentyl methyl ether 79.41
    gamma-butyrolactone 296.41
    1-methoxy-2-propanol 134.3
    pyridine 67.3
    3-pentanone 48.42
    furfural 258.85
    n-dodecane 1.1
    diethylene glycol 115.65
    diisopropyl ether 8.23
    tert-amyl alcohol 46.2
    acetylacetone 125.57
    n-hexadecane 1.25
    acetophenone 65.3
    methyl propionate 57.47
    isopentyl acetate 48.63
    trichloroethylene 172.75
    n-nonanol 24.01
    cyclohexanol 61.66
    benzyl alcohol 49.51
    2-ethylhexanol 22.9
    isooctanol 24.82
    dipropyl ether 23.97
    1,2-dichlorobenzene 38.37
    ethyl lactate 60.57
    propylene carbonate 147.85
    n-methylformamide 175.66
    2-pentanol 24.13
    n-pentane 1.3
    1-propoxy-2-propanol 72.95
    1-methoxy-2-propyl acetate 70.32
    2-(2-methoxypropoxy) propanol 85.59
    mesitylene 10.65
    ε-caprolactone 172.42
    p-cymene 11.26
    epichlorohydrin 220.66
    1,1,1-trichloroethane 55.33
    2-aminoethanol 102.95
    morpholine-4-carbaldehyde 263.72
    sulfolane 569.0
    2,2,4-trimethylpentane 1.97
    2-methyltetrahydrofuran 98.37
    n-hexyl acetate 64.36
    isooctane 1.16
    2-(2-butoxyethoxy)ethanol 123.06
    sec-butyl acetate 38.74
    tert-butyl acetate 58.49
    decalin 3.78
    glycerin 149.04
    diglyme 270.86
    acrylic acid 104.8
    isopropyl myristate 20.71
    n-butyric acid 129.86
    acetyl acetate 53.0
    di(2-ethylhexyl) phthalate 35.16
    ethyl propionate 51.62
    nitromethane 308.16
    1,2-diethoxyethane 63.17
    benzonitrile 44.92
    trioctyl phosphate 24.73
    1-bromopropane 26.48
    gamma-valerolactone 364.07
    n-decanol 16.13
    triethyl phosphate 37.78
    4-methyl-2-pentanol 18.73
    propionitrile 32.31
    vinylene carbonate 134.98
    1,1,2-trichlorotrifluoroethane 265.09
    DMS 55.97
    cumene 11.37
    2-octanol 17.1
    2-hexanone 60.22
    octyl acetate 29.34
    limonene 17.21
    1,2-dimethoxyethane 196.36
    ethyl orthosilicate 34.2
    tributyl phosphate 31.62
    diacetone alcohol 102.58
    N,N-dimethylaniline 34.67
    acrylonitrile 52.01
    aniline 30.97
    1,3-propanediol 107.81
    bromobenzene 23.24
    dibromomethane 72.43
    1,1,2,2-tetrachloroethane 161.15
    2-methyl-cyclohexyl acetate 51.39
    tetrabutyl urea 45.36
    diisobutyl methanol 14.14
    2-phenylethanol 40.49
    styrene 13.07
    dioctyl adipate 50.86
    dimethyl sulfate 121.28
    ethyl butyrate 48.06
    methyl lactate 78.57
    butyl lactate 76.28
    diethyl carbonate 36.49
    propanediol butyl ether 105.26
    triethyl orthoformate 43.63
    p-tert-butyltoluene 10.99
    methyl 4-tert-butylbenzoate 76.79
    morpholine 141.82
    tert-butylamine 22.71
    n-dodecanol 11.21
    dimethoxymethane 126.78
    ethylene carbonate 111.86
    cyrene 117.44
    2-ethoxyethyl acetate 92.24
    2-ethylhexyl acetate 37.93
    1,2,4-trichlorobenzene 47.69
    4-methylpyridine 58.07
    dibutyl ether 25.76
    2,6-dimethyl-4-heptanol 14.14
    DEF 116.03
    dimethyl isosorbide 150.19
    tetrachloroethylene 115.62
    eugenol 81.97
    triacetin 116.24
    span 80 76.83
    1,4-butanediol 52.74
    1,1-dichloroethane 45.75
    2-methyl-1-pentanol 39.02
    methyl formate 119.35
    2-methyl-1-butanol 42.38
    n-decane 2.08
    butyronitrile 35.37
    3,7-dimethyl-1-octanol 23.84
    1-chlorooctane 12.59
    1-chlorotetradecane 4.16
    n-nonane 1.86
    undecane 1.43
    tert-butylcyclohexane 3.01
    cyclooctane 1.93
    cyclopentanol 74.74
    tetrahydropyran 80.62
    tert-amyl methyl ether 26.51
    2,5,8-trioxanonane 166.38
    1-hexene 8.34
    2-isopropoxyethanol 85.34
    2,2,2-trifluoroethanol 104.17
    methyl butyrate 89.81

    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