16-Hentriacontanone

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  • Identifiers

    CAS number
    502-73-8

    Molecular formula
    C31H62O

    SMILES
    CCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 73.05%
    Fatty 62.12%
    Oily 44.15%
    Odorless 28.99%
    Meaty 23.0%
    Savory 21.72%
    Creamy 20.8%
    Dairy 20.17%
    Fishy 20.16%
    Milky 17.4%

     

    Flavor
    Waxy 50.73%
    Fatty 36.82%
    Mild 34.71%
    Bland 32.05%
    Alkane 31.82%
    Fat 28.19%
    Faint 27.4%
    Oily 25.24%
    Slightly waxy 25.02%
    Delicate 22.97%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    14.6

    pKa est.
    9.18 (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

    Melting point expt.

    • 82 - 83 °C

    Flash point

    • 227.55 ˚C est.

  • Synonyms

    • 16-Hentriacontanone
    • Hentriacontan-16-one
    • Palmitone
    • 502-73-8
    • Dipentadecyl ketone
    • Pentadecyl ketone
    • Hentricontan-16-one
    • GR7I8IC3NO
    • 16-hentriacontane
    • NSC-953
    • CHEBI:5658
    • DTXSID00198239
    • RefChem:78988
    • DTXCID80120730
    • 207-952-8
    • HEBTRIACONTANONE
    • MFCD00059222
    • 16-HEBTRIACONTANONE
    • NSC 953
    • NSC953
    • UNII-GR7I8IC3NO
    • C31H62O
    • EINECS 207-952-8
    • AI3-22025
    • SCHEMBL352951
    • orb1705609
    • LMFA12000005
    • SBB061344
    • AKOS024390969
    • AS-57185
    • SY054860
    • DB-238216
    • CS-0203837
    • H0423
    • NS00043126
    • ST51047368
    • C08379
    • D90862
    • Q27106854
    • 502-73-8

  • Applications

    16-Hentriacontanone (CAS 502-73-8) is used as a fragrance ingredient and fixative in perfumery to extend scent longevity and stabilize aroma. It is also employed in cosmetics and personal care products as a fragrance component. In household care and cleaning products it may contribute a lasting fragrance. Owing to its long chain and waxy character, it can function as a processing aid or additive in coatings and inks to improve flow and formulation stability. Additionally, it may serve as an intermediate in industrial chemical manufacturing, depending on formulation requirements and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.93
    methanol 3.47
    isopropanol 3.58
    water 0.03
    ethyl acetate 82.99
    n-propanol 6.17
    acetone 32.36
    n-butanol 8.82
    acetonitrile 10.41
    DMF 54.54
    toluene 34.16
    isobutanol 7.99
    1,4-dioxane 83.62
    methyl acetate 44.54
    THF 221.74
    2-butanone 61.43
    n-pentanol 9.54
    sec-butanol 9.76
    n-hexane 13.09
    ethylene glycol 0.46
    NMP 324.44
    cyclohexane 81.45
    DMSO 70.58
    n-butyl acetate 129.74
    n-octanol 29.94
    chloroform 335.83
    n-propyl acetate 118.05
    acetic acid 17.22
    dichloromethane 320.44
    cyclohexanone 309.94
    propylene glycol 1.46
    isopropyl acetate 101.21
    DMAc 179.14
    2-ethoxyethanol 24.81
    isopentanol 15.48
    n-heptane 23.0
    ethyl formate 30.75
    1,2-dichloroethane 176.26
    n-hexanol 11.6
    2-methoxyethanol 19.82
    isobutyl acetate 89.78
    tetrachloromethane 98.34
    n-pentyl acetate 260.23
    transcutol 276.1
    n-heptanol 23.69
    ethylbenzene 36.7
    MIBK 88.69
    2-propoxyethanol 32.65
    tert-butanol 12.53
    MTBE 53.39
    2-butoxyethanol 65.51
    propionic acid 21.32
    o-xylene 45.1
    formic acid 3.3
    diethyl ether 33.59
    m-xylene 33.38
    p-xylene 58.62
    chlorobenzene 89.21
    dimethyl carbonate 24.58
    n-octane 12.55
    formamide 7.31
    cyclopentanone 276.6
    2-pentanone 72.68
    anisole 76.94
    cyclopentyl methyl ether 164.88
    gamma-butyrolactone 251.61
    1-methoxy-2-propanol 26.32
    pyridine 99.17
    3-pentanone 81.9
    furfural 177.44
    n-dodecane 5.6
    diethylene glycol 10.09
    diisopropyl ether 34.35
    tert-amyl alcohol 25.93
    acetylacetone 132.33
    n-hexadecane 7.22
    acetophenone 124.06
    methyl propionate 59.41
    isopentyl acetate 151.67
    trichloroethylene 368.81
    n-nonanol 35.15
    cyclohexanol 42.62
    benzyl alcohol 27.46
    2-ethylhexanol 29.34
    isooctanol 33.0
    dipropyl ether 101.14
    1,2-dichlorobenzene 149.93
    ethyl lactate 39.68
    propylene carbonate 176.74
    n-methylformamide 16.98
    2-pentanol 10.36
    n-pentane 6.78
    1-propoxy-2-propanol 53.85
    1-methoxy-2-propyl acetate 139.76
    2-(2-methoxypropoxy) propanol 94.23
    mesitylene 35.37
    ε-caprolactone 296.09
    p-cymene 48.11
    epichlorohydrin 239.78
    1,1,1-trichloroethane 283.54
    2-aminoethanol 2.14
    morpholine-4-carbaldehyde 161.92
    sulfolane 513.61
    2,2,4-trimethylpentane 13.65
    2-methyltetrahydrofuran 194.71
    n-hexyl acetate 212.17
    isooctane 6.87
    2-(2-butoxyethoxy)ethanol 99.11
    sec-butyl acetate 115.04
    tert-butyl acetate 183.51
    decalin 31.72
    glycerin 3.83
    diglyme 312.56
    acrylic acid 15.54
    isopropyl myristate 76.26
    n-butyric acid 54.48
    acetyl acetate 80.85
    di(2-ethylhexyl) phthalate 54.39
    ethyl propionate 115.61
    nitromethane 56.81
    1,2-diethoxyethane 172.33
    benzonitrile 48.88
    trioctyl phosphate 38.72
    1-bromopropane 96.35
    gamma-valerolactone 341.04
    n-decanol 21.26
    triethyl phosphate 127.45
    4-methyl-2-pentanol 13.53
    propionitrile 16.83
    vinylene carbonate 123.44
    1,1,2-trichlorotrifluoroethane 160.5
    DMS 95.56
    cumene 32.53
    2-octanol 29.18
    2-hexanone 92.17
    octyl acetate 81.46
    limonene 92.53
    1,2-dimethoxyethane 120.45
    ethyl orthosilicate 128.2
    tributyl phosphate 60.33
    diacetone alcohol 100.59
    N,N-dimethylaniline 67.45
    acrylonitrile 17.08
    aniline 28.97
    1,3-propanediol 5.11
    bromobenzene 127.11
    dibromomethane 197.78
    1,1,2,2-tetrachloroethane 385.39
    2-methyl-cyclohexyl acetate 181.84
    tetrabutyl urea 100.06
    diisobutyl methanol 36.02
    2-phenylethanol 30.16
    styrene 40.27
    dioctyl adipate 140.32
    dimethyl sulfate 81.83
    ethyl butyrate 192.53
    methyl lactate 23.7
    butyl lactate 123.65
    diethyl carbonate 109.41
    propanediol butyl ether 43.95
    triethyl orthoformate 188.41
    p-tert-butyltoluene 43.88
    methyl 4-tert-butylbenzoate 189.78
    morpholine 93.08
    tert-butylamine 11.91
    n-dodecanol 14.86
    dimethoxymethane 40.93
    ethylene carbonate 114.73
    cyrene 105.35
    2-ethoxyethyl acetate 223.4
    2-ethylhexyl acetate 152.24
    1,2,4-trichlorobenzene 187.29
    4-methylpyridine 99.09
    dibutyl ether 138.43
    2,6-dimethyl-4-heptanol 36.02
    DEF 123.87
    dimethyl isosorbide 297.38
    tetrachloroethylene 228.02
    eugenol 113.34
    triacetin 254.74
    span 80 88.51
    1,4-butanediol 2.99
    1,1-dichloroethane 128.18
    2-methyl-1-pentanol 18.39
    methyl formate 15.47
    2-methyl-1-butanol 15.46
    n-decane 15.32
    butyronitrile 21.94
    3,7-dimethyl-1-octanol 42.28
    1-chlorooctane 65.4
    1-chlorotetradecane 18.46
    n-nonane 15.21
    undecane 8.49
    tert-butylcyclohexane 20.99
    cyclooctane 25.73
    cyclopentanol 36.83
    tetrahydropyran 142.38
    tert-amyl methyl ether 76.86
    2,5,8-trioxanonane 169.13
    1-hexene 22.86
    2-isopropoxyethanol 28.57
    2,2,2-trifluoroethanol 15.5
    methyl butyrate 157.71

    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