28-Hydroxy-6-methyl-5-tritriacontanone

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  • Identifiers

    CAS number
    239091-54-4

    Molecular formula
    C34H68O2

    SMILES
    CCCCCC(CCCCCCCCCCCCCCCCCCCCCC(C)C(=O)CCCC)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 59.9%
    Fatty 54.56%
    Oily 48.13%
    Woody 33.54%
    Fruity 31.39%
    Odorless 27.43%
    Milky 24.66%
    Fresh 23.85%
    Creamy 22.94%
    Amber 22.16%

     

    Flavor
    Waxy 43.05%
    Mild 33.51%
    Fatty 33.17%
    Bland 31.25%
    Fat 28.06%
    Oily 27.43%
    Faint 26.38%
    Slightly waxy 24.26%
    Delicate 23.74%
    Bay oil 22.21%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    14.4

    pKa est.
    9.21 (weak base)

    Molecular weight
    508.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    654°C

    Flash point

    • 237.38 ˚C est.

  • Synonyms

    • 28-Hydroxy-6-methyl-5-tritriacontanone
    • 239091-54-4
    • RefChem:267499
    • DTXSID201283015
    • 28-Hydroxy-6-methyltritriacontan-5-one
    • 239091-54-4

  • Applications

    28-Hydroxy-6-methyl-5-tritriacontanone (CAS 239091-54-4) is a long-chain hydroxy ketone that finds use primarily in fragrance technology as an odorant and a fixative to help stabilize and extend scent; in cosmetics and personal care it can function as an emollient component and as a synthetic intermediate for fragrance-related formulations; in industrial manufacturing it is commonly evaluated as an intermediate for preparing other fragrance chemicals and specialty esters; in polymers and plastics it may act as a processing aid or plasticizer to influence flexibility and texture; in coatings and inks it can serve as a wax-like additive to adjust rheology and film formation.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.62
    methanol 5.6
    isopropanol 4.84
    water 0.05
    ethyl acetate 79.87
    n-propanol 8.6
    acetone 34.12
    n-butanol 11.1
    acetonitrile 10.18
    DMF 55.06
    toluene 32.18
    isobutanol 9.85
    1,4-dioxane 87.9
    methyl acetate 41.94
    THF 224.76
    2-butanone 63.86
    n-pentanol 12.23
    sec-butanol 12.24
    n-hexane 11.09
    ethylene glycol 0.53
    NMP 281.37
    cyclohexane 57.78
    DMSO 69.07
    n-butyl acetate 115.98
    n-octanol 34.95
    chloroform 264.58
    n-propyl acetate 109.42
    acetic acid 20.17
    dichloromethane 251.41
    cyclohexanone 287.9
    propylene glycol 1.69
    isopropyl acetate 92.26
    DMAc 175.47
    2-ethoxyethanol 29.83
    isopentanol 17.63
    n-heptane 16.02
    ethyl formate 31.44
    1,2-dichloroethane 140.72
    n-hexanol 13.07
    2-methoxyethanol 23.57
    isobutyl acetate 81.88
    tetrachloromethane 78.26
    n-pentyl acetate 250.47
    transcutol 257.36
    n-heptanol 29.92
    ethylbenzene 35.03
    MIBK 82.14
    2-propoxyethanol 36.83
    tert-butanol 13.96
    MTBE 50.31
    2-butoxyethanol 78.68
    propionic acid 22.46
    o-xylene 39.68
    formic acid 4.2
    diethyl ether 34.04
    m-xylene 29.28
    p-xylene 53.03
    chlorobenzene 76.69
    dimethyl carbonate 23.79
    n-octane 9.63
    formamide 8.56
    cyclopentanone 241.18
    2-pentanone 71.94
    anisole 68.62
    cyclopentyl methyl ether 147.11
    gamma-butyrolactone 232.9
    1-methoxy-2-propanol 29.23
    pyridine 99.92
    3-pentanone 75.74
    furfural 158.56
    n-dodecane 4.24
    diethylene glycol 10.8
    diisopropyl ether 28.07
    tert-amyl alcohol 28.01
    acetylacetone 120.49
    n-hexadecane 5.3
    acetophenone 109.95
    methyl propionate 58.2
    isopentyl acetate 135.61
    trichloroethylene 282.49
    n-nonanol 40.29
    cyclohexanol 44.48
    benzyl alcohol 28.11
    2-ethylhexanol 28.24
    isooctanol 38.01
    dipropyl ether 79.89
    1,2-dichlorobenzene 114.41
    ethyl lactate 37.85
    propylene carbonate 158.02
    n-methylformamide 17.92
    2-pentanol 12.23
    n-pentane 5.89
    1-propoxy-2-propanol 56.12
    1-methoxy-2-propyl acetate 120.62
    2-(2-methoxypropoxy) propanol 84.08
    mesitylene 28.22
    ε-caprolactone 291.54
    p-cymene 38.95
    epichlorohydrin 212.51
    1,1,1-trichloroethane 211.67
    2-aminoethanol 2.6
    morpholine-4-carbaldehyde 148.47
    sulfolane 419.82
    2,2,4-trimethylpentane 10.63
    2-methyltetrahydrofuran 189.05
    n-hexyl acetate 198.38
    isooctane 4.87
    2-(2-butoxyethoxy)ethanol 98.11
    sec-butyl acetate 107.12
    tert-butyl acetate 151.36
    decalin 22.87
    glycerin 4.03
    diglyme 288.8
    acrylic acid 15.23
    isopropyl myristate 63.01
    n-butyric acid 58.48
    acetyl acetate 66.57
    di(2-ethylhexyl) phthalate 49.42
    ethyl propionate 104.94
    nitromethane 55.51
    1,2-diethoxyethane 145.6
    benzonitrile 45.53
    trioctyl phosphate 35.67
    1-bromopropane 81.56
    gamma-valerolactone 349.72
    n-decanol 23.13
    triethyl phosphate 94.52
    4-methyl-2-pentanol 14.28
    propionitrile 16.54
    vinylene carbonate 114.6
    1,1,2-trichlorotrifluoroethane 142.75
    DMS 80.12
    cumene 29.34
    2-octanol 33.28
    2-hexanone 90.59
    octyl acetate 72.94
    limonene 69.94
    1,2-dimethoxyethane 120.36
    ethyl orthosilicate 96.47
    tributyl phosphate 52.27
    diacetone alcohol 92.34
    N,N-dimethylaniline 58.61
    acrylonitrile 15.83
    aniline 27.38
    1,3-propanediol 6.45
    bromobenzene 101.12
    dibromomethane 157.22
    1,1,2,2-tetrachloroethane 289.57
    2-methyl-cyclohexyl acetate 146.78
    tetrabutyl urea 83.15
    diisobutyl methanol 29.61
    2-phenylethanol 30.55
    styrene 36.93
    dioctyl adipate 115.31
    dimethyl sulfate 71.15
    ethyl butyrate 153.87
    methyl lactate 23.35
    butyl lactate 121.3
    diethyl carbonate 84.7
    propanediol butyl ether 49.14
    triethyl orthoformate 145.36
    p-tert-butyltoluene 35.54
    methyl 4-tert-butylbenzoate 169.01
    morpholine 97.59
    tert-butylamine 12.01
    n-dodecanol 15.12
    dimethoxymethane 42.83
    ethylene carbonate 108.94
    cyrene 98.04
    2-ethoxyethyl acetate 224.19
    2-ethylhexyl acetate 130.34
    1,2,4-trichlorobenzene 142.19
    4-methylpyridine 95.73
    dibutyl ether 111.97
    2,6-dimethyl-4-heptanol 29.61
    DEF 108.39
    dimethyl isosorbide 246.2
    tetrachloroethylene 177.99
    eugenol 105.87
    triacetin 209.77
    span 80 83.58
    1,4-butanediol 3.68
    1,1-dichloroethane 105.68
    2-methyl-1-pentanol 21.08
    methyl formate 16.17
    2-methyl-1-butanol 17.83
    n-decane 12.38
    butyronitrile 23.11
    3,7-dimethyl-1-octanol 40.22
    1-chlorooctane 55.77
    1-chlorotetradecane 14.37
    n-nonane 11.88
    undecane 6.51
    tert-butylcyclohexane 15.62
    cyclooctane 17.0
    cyclopentanol 37.85
    tetrahydropyran 146.46
    tert-amyl methyl ether 66.16
    2,5,8-trioxanonane 146.33
    1-hexene 21.56
    2-isopropoxyethanol 31.15
    2,2,2-trifluoroethanol 15.86
    methyl butyrate 145.01

    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