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

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  • Identifiers

    CAS number
    37139-04-1

    Molecular formula
    C19H34O4

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

    Safety labels

  • Odor profile

    Fragrance
    Fresh 39.97%
    Waxy 39.12%
    Sweet 34.12%
    Fatty 33.12%
    Citrus 31.77%
    Oily 30.53%
    Floral 29.23%
    Odorless 27.86%
    Lactonic 26.52%
    Milky 26.0%

     

    Flavor
    Mild 36.04%
    Odorless 31.47%
    Waxy 28.94%
    Bland 28.37%
    Woody 26.04%
    Floral 25.45%
    Fatty 24.7%
    Oily 24.5%
    Slightly waxy 21.55%
    Bay oil 21.02%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    6.92 (neutral)

    Molecular weight
    326.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    449°C

    Flash point

    • 185.18 ˚C est.

  • Synonyms

    • 16-Heptadecyne-1,2,4-triol, 2-acetate
    • 37139-04-1
    • RefChem:236657
    • Avocadyne 2-acetate
    • 1,4-dihydroxyheptadec-16-yn-2-yl acetate
    • CHEBI:171811
    • DTXSID401285924
    • 37139-04-1

  • Applications

    Chemical name: 16-Heptadecyne-1,2,4-triol, 2-acetate; CAS number: 37139-04-1. This long-chain polyol ester bears an alkyne functionality and is commonly used as an intermediate for specialty polymers and crosslinkable materials, leveraging the alkyne for post-polymerization functionalization via click chemistry to graft onto backbones or enable crosslinking. In cosmetics and personal care, it can function as an emollient and humectant or as a formulation component for emulsions and creams; in coatings and inks, it may serve as a plasticizer or processing aid to adjust rheology and flexibility; in plastics and adhesives, it can act as a reactive or lubricating additive and a precursor for surface modification. Use depends on regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 64.6
    methanol 236.03
    isopropanol 26.81
    water 1.41
    ethyl acetate 41.1
    n-propanol 42.93
    acetone 84.26
    n-butanol 33.63
    acetonitrile 30.99
    DMF 315.21
    toluene 10.15
    isobutanol 29.32
    1,4-dioxane 84.72
    methyl acetate 41.09
    THF 231.2
    2-butanone 51.69
    n-pentanol 30.99
    sec-butanol 24.06
    n-hexane 1.49
    ethylene glycol 39.78
    NMP 314.49
    cyclohexane 4.4
    DMSO 756.1
    n-butyl acetate 41.42
    n-octanol 20.05
    chloroform 92.75
    n-propyl acetate 58.42
    acetic acid 159.44
    dichloromethane 118.77
    cyclohexanone 168.89
    propylene glycol 42.88
    isopropyl acetate 36.21
    DMAc 303.71
    2-ethoxyethanol 123.68
    isopentanol 32.23
    n-heptane 1.63
    ethyl formate 56.16
    1,2-dichloroethane 82.94
    n-hexanol 22.65
    2-methoxyethanol 183.76
    isobutyl acetate 37.49
    tetrachloromethane 16.03
    n-pentyl acetate 48.57
    transcutol 319.09
    n-heptanol 21.05
    ethylbenzene 10.21
    MIBK 44.67
    2-propoxyethanol 86.8
    tert-butanol 39.59
    MTBE 19.85
    2-butoxyethanol 78.3
    propionic acid 71.64
    o-xylene 13.1
    formic acid 154.49
    diethyl ether 17.36
    m-xylene 10.99
    p-xylene 13.22
    chlorobenzene 22.46
    dimethyl carbonate 34.81
    n-octane 1.05
    formamide 209.18
    cyclopentanone 221.11
    2-pentanone 54.01
    anisole 33.01
    cyclopentyl methyl ether 67.07
    gamma-butyrolactone 254.93
    1-methoxy-2-propanol 109.39
    pyridine 57.98
    3-pentanone 39.68
    furfural 222.32
    n-dodecane 0.97
    diethylene glycol 94.99
    diisopropyl ether 6.75
    tert-amyl alcohol 34.09
    acetylacetone 106.36
    n-hexadecane 1.11
    acetophenone 56.21
    methyl propionate 47.96
    isopentyl acetate 40.91
    trichloroethylene 141.37
    n-nonanol 19.45
    cyclohexanol 45.3
    benzyl alcohol 39.79
    2-ethylhexanol 17.96
    isooctanol 19.53
    dipropyl ether 20.36
    1,2-dichlorobenzene 32.01
    ethyl lactate 49.81
    propylene carbonate 125.06
    n-methylformamide 140.42
    2-pentanol 16.9
    n-pentane 0.9
    1-propoxy-2-propanol 58.91
    1-methoxy-2-propyl acetate 60.41
    2-(2-methoxypropoxy) propanol 73.24
    mesitylene 8.78
    ε-caprolactone 143.87
    p-cymene 9.52
    epichlorohydrin 192.75
    1,1,1-trichloroethane 45.89
    2-aminoethanol 73.74
    morpholine-4-carbaldehyde 233.05
    sulfolane 478.19
    2,2,4-trimethylpentane 1.46
    2-methyltetrahydrofuran 84.77
    n-hexyl acetate 52.21
    isooctane 0.89
    2-(2-butoxyethoxy)ethanol 102.74
    sec-butyl acetate 32.99
    tert-butyl acetate 50.17
    decalin 3.09
    glycerin 109.42
    diglyme 233.77
    acrylic acid 76.94
    isopropyl myristate 17.45
    n-butyric acid 100.67
    acetyl acetate 45.92
    di(2-ethylhexyl) phthalate 28.81
    ethyl propionate 43.53
    nitromethane 262.06
    1,2-diethoxyethane 54.18
    benzonitrile 37.71
    trioctyl phosphate 20.0
    1-bromopropane 21.29
    gamma-valerolactone 319.89
    n-decanol 13.12
    triethyl phosphate 32.72
    4-methyl-2-pentanol 14.11
    propionitrile 26.52
    vinylene carbonate 114.5
    1,1,2-trichlorotrifluoroethane 221.47
    DMS 48.29
    cumene 9.64
    2-octanol 13.22
    2-hexanone 49.5
    octyl acetate 24.32
    limonene 14.36
    1,2-dimethoxyethane 177.3
    ethyl orthosilicate 30.01
    tributyl phosphate 25.77
    diacetone alcohol 84.98
    N,N-dimethylaniline 30.27
    acrylonitrile 41.42
    aniline 24.94
    1,3-propanediol 79.06
    bromobenzene 19.46
    dibromomethane 57.85
    1,1,2,2-tetrachloroethane 132.62
    2-methyl-cyclohexyl acetate 44.13
    tetrabutyl urea 38.71
    diisobutyl methanol 11.66
    2-phenylethanol 33.06
    styrene 10.93
    dioctyl adipate 42.83
    dimethyl sulfate 106.06
    ethyl butyrate 41.5
    methyl lactate 65.28
    butyl lactate 61.38
    diethyl carbonate 31.99
    propanediol butyl ether 83.71
    triethyl orthoformate 37.81
    p-tert-butyltoluene 9.34
    methyl 4-tert-butylbenzoate 65.53
    morpholine 123.79
    tert-butylamine 17.15
    n-dodecanol 9.3
    dimethoxymethane 111.64
    ethylene carbonate 94.02
    cyrene 101.81
    2-ethoxyethyl acetate 75.86
    2-ethylhexyl acetate 31.98
    1,2,4-trichlorobenzene 39.78
    4-methylpyridine 50.47
    dibutyl ether 21.98
    2,6-dimethyl-4-heptanol 11.66
    DEF 98.44
    dimethyl isosorbide 136.21
    tetrachloroethylene 93.19
    eugenol 69.45
    triacetin 96.71
    span 80 63.54
    1,4-butanediol 37.58
    1,1-dichloroethane 37.11
    2-methyl-1-pentanol 29.33
    methyl formate 98.14
    2-methyl-1-butanol 29.73
    n-decane 1.81
    butyronitrile 27.96
    3,7-dimethyl-1-octanol 19.3
    1-chlorooctane 10.61
    1-chlorotetradecane 3.58
    n-nonane 1.59
    undecane 1.26
    tert-butylcyclohexane 2.45
    cyclooctane 1.51
    cyclopentanol 59.32
    tetrahydropyran 68.83
    tert-amyl methyl ether 22.14
    2,5,8-trioxanonane 146.2
    1-hexene 6.19
    2-isopropoxyethanol 70.12
    2,2,2-trifluoroethanol 81.07
    methyl butyrate 76.31

    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