18-Hydroxytritriacontan-16-one

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  • Identifiers

    CAS number
    97191-42-9

    Molecular formula
    C33H66O2

    SMILES
    CCCCCCCCCCCCCCCC(CC(=O)CCCCCCCCCCCCCCC)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 67.41%
    Fatty 62.66%
    Oily 49.25%
    Odorless 30.65%
    Creamy 22.57%
    Dairy 21.91%
    Milky 20.89%
    Savory 20.06%
    Meaty 19.93%
    Woody 19.86%

     

    Flavor
    Waxy 41.63%
    Fatty 38.23%
    Mild 35.21%
    Bland 34.88%
    Faint 29.4%
    Fat 28.23%
    Odorless 25.34%
    Oily 25.33%
    Slightly waxy 24.77%
    Delicate 22.92%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    14.3

    pKa est.
    9.14 (weak base)

    Molecular weight
    494.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    642°C

    Flash point

    • 237.49 ˚C est.

  • Synonyms

    • 18-Hydroxytritriacontan-16-one
    • 97191-42-9
    • 16-Tritriacontanone, 18-hydroxy-
    • 18-hydroxy-16-tritriacontanone
    • starbld0028859
    • orb1680907
    • DTXSID701306422
    • XDA19142
    • AKOS040762964
    • CS-1057564
    • 97191-42-9

  • Applications

    18-Hydroxytritriacontan-16-one (CAS 97191-42-9) is a long-chain hydroxy ketone bearing a hydroxyl group at position 18 and a ketone at position 16, commonly considered an intermediate and wax-like material in industrial formulations. In practice, it may be used as a feedstock for fragrance synthesis and can function as a fixative in perfumery/fragrance; it is also evaluated for cosmetics/personal care applications as a component to support ester formation or processing into wax-like textures to improve formulation feel and texture; due to its lipophilic and waxy character, it can serve as an additive for coatings/inks to enhance lubricity and softness; at industrial scale it can act as an intermediate for the production of specialty chemicals and for polymers/plastics or other high-molecular-weight compounds, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.93
    methanol 3.96
    isopropanol 3.22
    water 0.03
    ethyl acetate 52.81
    n-propanol 5.59
    acetone 28.57
    n-butanol 6.87
    acetonitrile 7.11
    DMF 55.55
    toluene 23.19
    isobutanol 6.67
    1,4-dioxane 61.71
    methyl acetate 31.54
    THF 203.94
    2-butanone 47.0
    n-pentanol 7.48
    sec-butanol 7.87
    n-hexane 6.79
    ethylene glycol 0.5
    NMP 300.64
    cyclohexane 39.81
    DMSO 79.61
    n-butyl acetate 76.58
    n-octanol 21.15
    chloroform 222.1
    n-propyl acetate 71.61
    acetic acid 17.95
    dichloromethane 204.06
    cyclohexanone 218.37
    propylene glycol 1.69
    isopropyl acetate 61.03
    DMAc 170.85
    2-ethoxyethanol 20.51
    isopentanol 11.19
    n-heptane 10.2
    ethyl formate 23.04
    1,2-dichloroethane 116.53
    n-hexanol 8.62
    2-methoxyethanol 18.13
    isobutyl acetate 54.34
    tetrachloromethane 58.06
    n-pentyl acetate 154.41
    transcutol 206.09
    n-heptanol 16.83
    ethylbenzene 21.91
    MIBK 58.4
    2-propoxyethanol 27.06
    tert-butanol 10.64
    MTBE 34.06
    2-butoxyethanol 51.3
    propionic acid 18.12
    o-xylene 28.22
    formic acid 3.82
    diethyl ether 20.26
    m-xylene 21.44
    p-xylene 34.71
    chlorobenzene 56.8
    dimethyl carbonate 21.89
    n-octane 5.78
    formamide 7.42
    cyclopentanone 232.67
    2-pentanone 50.78
    anisole 46.88
    cyclopentyl methyl ether 118.6
    gamma-butyrolactone 210.38
    1-methoxy-2-propanol 23.72
    pyridine 73.51
    3-pentanone 56.95
    furfural 138.49
    n-dodecane 2.8
    diethylene glycol 9.27
    diisopropyl ether 18.76
    tert-amyl alcohol 20.23
    acetylacetone 97.58
    n-hexadecane 3.53
    acetophenone 77.94
    methyl propionate 45.01
    isopentyl acetate 89.29
    trichloroethylene 248.11
    n-nonanol 24.57
    cyclohexanol 31.21
    benzyl alcohol 19.95
    2-ethylhexanol 18.86
    isooctanol 22.31
    dipropyl ether 56.27
    1,2-dichlorobenzene 88.47
    ethyl lactate 31.22
    propylene carbonate 142.59
    n-methylformamide 15.74
    2-pentanol 7.77
    n-pentane 3.73
    1-propoxy-2-propanol 41.97
    1-methoxy-2-propyl acetate 96.48
    2-(2-methoxypropoxy) propanol 70.75
    mesitylene 20.66
    ε-caprolactone 210.3
    p-cymene 27.11
    epichlorohydrin 182.77
    1,1,1-trichloroethane 170.58
    2-aminoethanol 2.25
    morpholine-4-carbaldehyde 134.74
    sulfolane 467.17
    2,2,4-trimethylpentane 7.3
    2-methyltetrahydrofuran 142.84
    n-hexyl acetate 131.53
    isooctane 3.44
    2-(2-butoxyethoxy)ethanol 75.69
    sec-butyl acetate 65.88
    tert-butyl acetate 114.22
    decalin 16.05
    glycerin 4.29
    diglyme 217.45
    acrylic acid 14.08
    isopropyl myristate 45.28
    n-butyric acid 42.84
    acetyl acetate 52.05
    di(2-ethylhexyl) phthalate 37.71
    ethyl propionate 70.11
    nitromethane 51.59
    1,2-diethoxyethane 100.91
    benzonitrile 32.38
    trioctyl phosphate 26.65
    1-bromopropane 55.97
    gamma-valerolactone 275.33
    n-decanol 14.5
    triethyl phosphate 76.0
    4-methyl-2-pentanol 9.6
    propionitrile 11.56
    vinylene carbonate 100.65
    1,1,2-trichlorotrifluoroethane 136.25
    DMS 64.79
    cumene 18.95
    2-octanol 19.28
    2-hexanone 60.97
    octyl acetate 52.04
    limonene 50.62
    1,2-dimethoxyethane 83.04
    ethyl orthosilicate 74.38
    tributyl phosphate 39.5
    diacetone alcohol 78.95
    N,N-dimethylaniline 42.35
    acrylonitrile 12.52
    aniline 21.05
    1,3-propanediol 4.78
    bromobenzene 74.98
    dibromomethane 120.06
    1,1,2,2-tetrachloroethane 259.87
    2-methyl-cyclohexyl acetate 108.65
    tetrabutyl urea 67.1
    diisobutyl methanol 20.26
    2-phenylethanol 21.19
    styrene 24.18
    dioctyl adipate 88.25
    dimethyl sulfate 76.52
    ethyl butyrate 104.89
    methyl lactate 22.9
    butyl lactate 91.56
    diethyl carbonate 60.69
    propanediol butyl ether 38.22
    triethyl orthoformate 106.52
    p-tert-butyltoluene 25.08
    methyl 4-tert-butylbenzoate 132.11
    morpholine 73.65
    tert-butylamine 8.96
    n-dodecanol 9.77
    dimethoxymethane 35.65
    ethylene carbonate 89.42
    cyrene 87.35
    2-ethoxyethyl acetate 152.62
    2-ethylhexyl acetate 86.32
    1,2,4-trichlorobenzene 116.85
    4-methylpyridine 65.75
    dibutyl ether 74.0
    2,6-dimethyl-4-heptanol 20.26
    DEF 86.43
    dimethyl isosorbide 221.97
    tetrachloroethylene 149.32
    eugenol 82.38
    triacetin 172.79
    span 80 66.79
    1,4-butanediol 2.62
    1,1-dichloroethane 81.58
    2-methyl-1-pentanol 12.95
    methyl formate 15.07
    2-methyl-1-butanol 11.69
    n-decane 7.57
    butyronitrile 14.14
    3,7-dimethyl-1-octanol 27.64
    1-chlorooctane 35.73
    1-chlorotetradecane 9.88
    n-nonane 7.24
    undecane 4.21
    tert-butylcyclohexane 10.98
    cyclooctane 11.75
    cyclopentanol 31.09
    tetrahydropyran 103.64
    tert-amyl methyl ether 48.9
    2,5,8-trioxanonane 121.81
    1-hexene 13.44
    2-isopropoxyethanol 21.25
    2,2,2-trifluoroethanol 14.46
    methyl butyrate 97.76

    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