9-Hentriacontanone

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  • Identifiers

    CAS number
    34136-52-2

    Molecular formula
    C31H62O

    SMILES
    CCCCCCCCCCCCCCCCCCCCCCC(=O)CCCCCCCC

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  • Odor profile

    Fragrance
    Waxy 73.04%
    Fatty 62.15%
    Oily 44.2%
    Odorless 28.97%
    Meaty 23.04%
    Savory 21.74%
    Creamy 20.82%
    Dairy 20.21%
    Fishy 20.18%
    Milky 17.43%

     

    Flavor
    Waxy 50.73%
    Fatty 36.81%
    Mild 34.7%
    Bland 32.05%
    Alkane 31.82%
    Fat 28.18%
    Faint 27.4%
    Oily 25.23%
    Slightly waxy 25.03%
    Delicate 22.97%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    14.6

    pKa est.
    9.19 (weak base)

    Molecular weight
    450.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    530°C

    Flash point

    • 228.51 ˚C est.

  • Synonyms

    • 9-Hentriacontanone
    • 34136-52-2
    • RefChem:107908
    • hentriacontan-9-one
    • SCHEMBL30229881
    • DTXSID601316068
    • 34136-52-2

  • Applications

    9-Hentriacontanone (CAS 34136-52-2) is a long-chain aliphatic ketone commonly used in perfumery and cosmetics as a fragrance ingredient and fixative to help stabilize and extend aroma; it may also appear in household products as part of fragrance formulations; in industrial manufacturing it serves as an intermediate for the synthesis of long-chain esters and waxy materials; in coatings and inks it acts as a wax-like additive to modify texture and gloss; and in specialty lubricants it may function as a lubricant component or additive in niche formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.36
    methanol 4.04
    isopropanol 4.13
    water 0.03
    ethyl acetate 92.97
    n-propanol 7.07
    acetone 36.59
    n-butanol 10.07
    acetonitrile 11.8
    DMF 61.4
    toluene 37.22
    isobutanol 9.16
    1,4-dioxane 92.66
    methyl acetate 50.01
    THF 242.05
    2-butanone 68.61
    n-pentanol 10.61
    sec-butanol 11.14
    n-hexane 14.5
    ethylene glycol 0.54
    NMP 354.99
    cyclohexane 90.89
    DMSO 79.02
    n-butyl acetate 143.44
    n-octanol 33.4
    chloroform 365.59
    n-propyl acetate 130.93
    acetic acid 19.63
    dichloromethane 349.11
    cyclohexanone 341.61
    propylene glycol 1.67
    isopropyl acetate 113.09
    DMAc 197.49
    2-ethoxyethanol 27.6
    isopentanol 17.61
    n-heptane 25.29
    ethyl formate 34.59
    1,2-dichloroethane 194.29
    n-hexanol 12.88
    2-methoxyethanol 22.41
    isobutyl acetate 99.36
    tetrachloromethane 109.33
    n-pentyl acetate 287.23
    transcutol 299.35
    n-heptanol 26.43
    ethylbenzene 39.9
    MIBK 98.88
    2-propoxyethanol 36.11
    tert-butanol 14.3
    MTBE 59.26
    2-butoxyethanol 72.63
    propionic acid 24.16
    o-xylene 49.23
    formic acid 3.8
    diethyl ether 37.72
    m-xylene 36.42
    p-xylene 64.01
    chlorobenzene 97.04
    dimethyl carbonate 27.54
    n-octane 13.87
    formamide 8.38
    cyclopentanone 303.01
    2-pentanone 81.37
    anisole 83.58
    cyclopentyl methyl ether 180.46
    gamma-butyrolactone 276.01
    1-methoxy-2-propanol 29.62
    pyridine 108.74
    3-pentanone 90.86
    furfural 193.33
    n-dodecane 6.15
    diethylene glycol 11.23
    diisopropyl ether 38.1
    tert-amyl alcohol 29.16
    acetylacetone 146.77
    n-hexadecane 7.91
    acetophenone 134.98
    methyl propionate 66.59
    isopentyl acetate 166.86
    trichloroethylene 401.16
    n-nonanol 38.78
    cyclohexanol 48.15
    benzyl alcohol 30.23
    2-ethylhexanol 32.32
    isooctanol 36.65
    dipropyl ether 110.8
    1,2-dichlorobenzene 162.37
    ethyl lactate 43.99
    propylene carbonate 193.95
    n-methylformamide 19.23
    2-pentanol 11.82
    n-pentane 7.62
    1-propoxy-2-propanol 59.56
    1-methoxy-2-propyl acetate 152.97
    2-(2-methoxypropoxy) propanol 101.05
    mesitylene 38.54
    ε-caprolactone 326.11
    p-cymene 52.13
    epichlorohydrin 261.78
    1,1,1-trichloroethane 311.57
    2-aminoethanol 2.45
    morpholine-4-carbaldehyde 178.54
    sulfolane 558.34
    2,2,4-trimethylpentane 14.94
    2-methyltetrahydrofuran 213.81
    n-hexyl acetate 232.98
    isooctane 7.52
    2-(2-butoxyethoxy)ethanol 107.5
    sec-butyl acetate 126.88
    tert-butyl acetate 201.09
    decalin 34.52
    glycerin 4.34
    diglyme 339.13
    acrylic acid 17.53
    isopropyl myristate 82.98
    n-butyric acid 61.57
    acetyl acetate 89.62
    di(2-ethylhexyl) phthalate 58.97
    ethyl propionate 128.07
    nitromethane 64.34
    1,2-diethoxyethane 188.19
    benzonitrile 53.9
    trioctyl phosphate 42.38
    1-bromopropane 106.01
    gamma-valerolactone 374.4
    n-decanol 23.53
    triethyl phosphate 136.97
    4-methyl-2-pentanol 15.16
    propionitrile 18.9
    vinylene carbonate 136.39
    1,1,2-trichlorotrifluoroethane 176.07
    DMS 105.27
    cumene 35.24
    2-octanol 32.52
    2-hexanone 101.71
    octyl acetate 89.29
    limonene 100.42
    1,2-dimethoxyethane 132.33
    ethyl orthosilicate 138.12
    tributyl phosphate 65.96
    diacetone alcohol 112.07
    N,N-dimethylaniline 72.73
    acrylonitrile 19.17
    aniline 32.02
    1,3-propanediol 5.87
    bromobenzene 137.25
    dibromomethane 216.48
    1,1,2,2-tetrachloroethane 419.22
    2-methyl-cyclohexyl acetate 196.18
    tetrabutyl urea 108.75
    diisobutyl methanol 39.52
    2-phenylethanol 32.82
    styrene 43.82
    dioctyl adipate 151.98
    dimethyl sulfate 90.69
    ethyl butyrate 210.5
    methyl lactate 26.46
    butyl lactate 136.06
    diethyl carbonate 119.16
    propanediol butyl ether 48.48
    triethyl orthoformate 203.48
    p-tert-butyltoluene 47.37
    methyl 4-tert-butylbenzoate 204.94
    morpholine 103.43
    tert-butylamine 13.48
    n-dodecanol 16.46
    dimethoxymethane 45.88
    ethylene carbonate 127.32
    cyrene 113.37
    2-ethoxyethyl acetate 244.87
    2-ethylhexyl acetate 166.21
    1,2,4-trichlorobenzene 202.29
    4-methylpyridine 108.87
    dibutyl ether 150.68
    2,6-dimethyl-4-heptanol 39.52
    DEF 137.88
    dimethyl isosorbide 317.68
    tetrachloroethylene 249.58
    eugenol 122.63
    triacetin 276.5
    span 80 96.08
    1,4-butanediol 3.36
    1,1-dichloroethane 141.92
    2-methyl-1-pentanol 20.39
    methyl formate 17.58
    2-methyl-1-butanol 17.54
    n-decane 16.79
    butyronitrile 24.76
    3,7-dimethyl-1-octanol 46.48
    1-chlorooctane 71.28
    1-chlorotetradecane 20.18
    n-nonane 16.72
    undecane 9.32
    tert-butylcyclohexane 22.7
    cyclooctane 28.4
    cyclopentanol 41.5
    tetrahydropyran 157.91
    tert-amyl methyl ether 84.48
    2,5,8-trioxanonane 182.48
    1-hexene 25.24
    2-isopropoxyethanol 31.67
    2,2,2-trifluoroethanol 17.66
    methyl butyrate 175.17

    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