16-Heptadecene-1,2,4-triol

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  • Identifiers

    CAS number
    83797-45-9

    Molecular formula
    C17H34O3

    SMILES
    C=CCCCCCCCCCCCC(CC(CO)O)O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 55.11%
    Waxy 51.31%
    Oily 43.5%
    Citrus 36.9%
    Fresh 32.62%
    Fruity 31.6%
    Sweet 31.23%
    Odorless 26.16%
    Milky 25.15%
    Clean 23.41%

     

    Flavor
    Waxy 42.69%
    Fatty 33.78%
    Mild 33.47%
    Floral 28.92%
    Fresh 27.16%
    Oily 25.67%
    Odorless 25.11%
    Citrus 24.44%
    Fat 23.78%
    Woody 23.43%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    6.53 (neutral)

    Molecular weight
    286.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    385°C

    Melting point expt.

    • 68 °C

    Flash point

    • 195.74 ˚C est.

  • Synonyms

    • 83797-45-9
    • 16-Heptadecene-1,2,4-triol
    • RefChem:1057558
    • heptadec-16-ene-1,2,4-triol
    • rac-Avocadene
    • KBio3_002077
    • Spectrum2_000718
    • Spectrum3_001039
    • Spectrum4_001176
    • Spectrum5_001842
    • BSPBio_002857
    • KBioGR_001811
    • SPBio_000935
    • CHEMBL480091
    • SCHEMBL1051284
    • CHEBI:172520
    • DTXSID001003849
    • IDA79745
    • ZAA60708
    • CCG-40038
    • LMFA05000639
    • 1,2,4-trihydroxy-n-heptadeca-16-ene
    • NCGC00178430-01
    • 83797-45-9

  • Applications

    For 16-Heptadecene-1,2,4-triol (CAS 83797-45-9), the compound is viewed as a multifunctional building block in polymer and coating systems, notably as a polyol for polyurethane and polyester resins used in flexible plastics and films; it serves as a precursor for nonionic surfactants and other specialty polymers; it can act as a reactive crosslinking component in coatings and adhesives formulations; and it may find use in cosmetics and personal care as an emollient or formulation additive, as well as a precursor for industrial synthesis in cleaning formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 155.2
    methanol 213.8
    isopropanol 117.6
    water 0.07
    ethyl acetate 72.41
    n-propanol 120.9
    acetone 105.73
    n-butanol 129.86
    acetonitrile 19.39
    DMF 174.83
    toluene 18.84
    isobutanol 101.63
    1,4-dioxane 160.07
    methyl acetate 42.18
    THF 613.6
    2-butanone 81.28
    n-pentanol 94.41
    sec-butanol 95.08
    n-hexane 10.28
    ethylene glycol 14.96
    NMP 211.84
    cyclohexane 32.84
    DMSO 680.03
    n-butyl acetate 115.05
    n-octanol 61.56
    chloroform 79.01
    n-propyl acetate 113.39
    acetic acid 86.41
    dichloromethane 72.05
    cyclohexanone 255.76
    propylene glycol 46.69
    isopropyl acetate 89.15
    DMAc 186.77
    2-ethoxyethanol 207.5
    isopentanol 151.37
    n-heptane 14.69
    ethyl formate 50.82
    1,2-dichloroethane 87.18
    n-hexanol 96.52
    2-methoxyethanol 286.99
    isobutyl acetate 83.7
    tetrachloromethane 25.33
    n-pentyl acetate 113.53
    transcutol 694.16
    n-heptanol 73.66
    ethylbenzene 21.17
    MIBK 125.19
    2-propoxyethanol 201.01
    tert-butanol 204.95
    MTBE 110.99
    2-butoxyethanol 170.09
    propionic acid 65.84
    o-xylene 25.57
    formic acid 29.27
    diethyl ether 70.79
    m-xylene 25.55
    p-xylene 25.08
    chlorobenzene 29.56
    dimethyl carbonate 24.7
    n-octane 5.93
    formamide 45.03
    cyclopentanone 270.67
    2-pentanone 115.05
    anisole 52.17
    cyclopentyl methyl ether 186.91
    gamma-butyrolactone 241.48
    1-methoxy-2-propanol 256.79
    pyridine 69.83
    3-pentanone 63.95
    furfural 164.93
    n-dodecane 3.61
    diethylene glycol 121.93
    diisopropyl ether 37.3
    tert-amyl alcohol 138.52
    acetylacetone 144.89
    n-hexadecane 4.14
    acetophenone 73.61
    methyl propionate 60.55
    isopentyl acetate 123.84
    trichloroethylene 126.4
    n-nonanol 59.04
    cyclohexanol 166.23
    benzyl alcohol 55.23
    2-ethylhexanol 79.59
    isooctanol 73.85
    dipropyl ether 104.36
    1,2-dichlorobenzene 38.63
    ethyl lactate 64.72
    propylene carbonate 127.51
    n-methylformamide 63.91
    2-pentanol 91.93
    n-pentane 7.7
    1-propoxy-2-propanol 189.68
    1-methoxy-2-propyl acetate 130.05
    2-(2-methoxypropoxy) propanol 123.88
    mesitylene 24.54
    ε-caprolactone 218.44
    p-cymene 26.58
    epichlorohydrin 227.16
    1,1,1-trichloroethane 66.38
    2-aminoethanol 61.92
    morpholine-4-carbaldehyde 206.29
    sulfolane 470.13
    2,2,4-trimethylpentane 9.76
    2-methyltetrahydrofuran 257.45
    n-hexyl acetate 114.01
    isooctane 8.02
    2-(2-butoxyethoxy)ethanol 213.63
    sec-butyl acetate 83.5
    tert-butyl acetate 151.85
    decalin 13.4
    glycerin 83.85
    diglyme 397.29
    acrylic acid 37.87
    isopropyl myristate 42.42
    n-butyric acid 173.99
    acetyl acetate 51.52
    di(2-ethylhexyl) phthalate 43.05
    ethyl propionate 76.7
    nitromethane 120.7
    1,2-diethoxyethane 167.41
    benzonitrile 46.11
    trioctyl phosphate 38.38
    1-bromopropane 44.61
    gamma-valerolactone 364.18
    n-decanol 38.07
    triethyl phosphate 55.86
    4-methyl-2-pentanol 76.9
    propionitrile 27.77
    vinylene carbonate 78.82
    1,1,2-trichlorotrifluoroethane 209.49
    DMS 51.98
    cumene 21.96
    2-octanol 48.6
    2-hexanone 110.74
    octyl acetate 53.18
    limonene 50.18
    1,2-dimethoxyethane 295.41
    ethyl orthosilicate 63.49
    tributyl phosphate 45.69
    diacetone alcohol 211.74
    N,N-dimethylaniline 48.31
    acrylonitrile 26.23
    aniline 37.7
    1,3-propanediol 142.44
    bromobenzene 26.83
    dibromomethane 51.91
    1,1,2,2-tetrachloroethane 150.52
    2-methyl-cyclohexyl acetate 101.28
    tetrabutyl urea 64.3
    diisobutyl methanol 57.34
    2-phenylethanol 58.64
    styrene 19.89
    dioctyl adipate 74.64
    dimethyl sulfate 66.58
    ethyl butyrate 102.36
    methyl lactate 64.86
    butyl lactate 111.13
    diethyl carbonate 53.45
    propanediol butyl ether 152.54
    triethyl orthoformate 92.37
    p-tert-butyltoluene 27.7
    methyl 4-tert-butylbenzoate 100.16
    morpholine 274.34
    tert-butylamine 108.0
    n-dodecanol 26.81
    dimethoxymethane 140.2
    ethylene carbonate 81.34
    cyrene 130.89
    2-ethoxyethyl acetate 123.61
    2-ethylhexyl acetate 91.17
    1,2,4-trichlorobenzene 49.16
    4-methylpyridine 61.78
    dibutyl ether 85.29
    2,6-dimethyl-4-heptanol 57.34
    DEF 135.95
    dimethyl isosorbide 226.31
    tetrachloroethylene 112.97
    eugenol 93.35
    triacetin 123.49
    span 80 117.89
    1,4-butanediol 47.29
    1,1-dichloroethane 50.31
    2-methyl-1-pentanol 95.19
    methyl formate 39.04
    2-methyl-1-butanol 111.88
    n-decane 8.04
    butyronitrile 50.59
    3,7-dimethyl-1-octanol 69.36
    1-chlorooctane 35.77
    1-chlorotetradecane 10.69
    n-nonane 7.69
    undecane 5.0
    tert-butylcyclohexane 12.03
    cyclooctane 10.66
    cyclopentanol 170.02
    tetrahydropyran 247.38
    tert-amyl methyl ether 90.88
    2,5,8-trioxanonane 245.85
    1-hexene 28.62
    2-isopropoxyethanol 158.42
    2,2,2-trifluoroethanol 30.99
    methyl butyrate 126.67

    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