18-Pentatriacontanone

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  • Identifiers

    CAS number
    504-53-0

    Molecular formula
    C35H70O

    SMILES
    CCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCCCC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Waxy 75.06%
    Fatty 60.46%
    Oily 42.42%
    Odorless 29.44%
    Meaty 21.45%
    Savory 20.58%
    Fishy 19.85%
    Creamy 18.81%
    Dairy 17.48%
    Animal 16.25%

     

    Flavor
    Waxy 50.59%
    Alkane 34.43%
    Mild 33.91%
    Fatty 33.25%
    Bland 32.49%
    Faint 26.89%
    Fat 25.62%
    Slightly waxy 24.52%
    Oily 23.06%
    Delicate 22.59%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    16.8

    pKa est.
    9.86 (weak base)

    Molecular weight
    506.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    579°C

    Flash point

    • 253.7 ˚C est.

  • Synonyms

    • 18-PENTATRIACONTANONE
    • 504-53-0
    • Stearone
    • Diheptadecyl ketone
    • Stearyl ketone
    • Di-stearyl ketone
    • UNII-7IN8GA6M68
    • 7IN8GA6M68
    • EINECS 207-993-1
    • NSC 83612
    • NSC-83612
    • AI3-15184
    • DTXSID2060125
    • RefChem:79410
    • STEARONE [INCI]
    • DTXCID0040832
    • 207-993-1
    • DMCJFWXGXUEHFD-UHFFFAOYSA-N
    • pentatriacontan-18-one
    • Heptadecyl ketone
    • Di-n-heptadecyl ketone
    • MFCD00048491
    • 18-?Pentatriacontanone
    • C35H70O
    • stearon
    • SCHEMBL29091
    • AAA50453
    • NSC83612
    • AKOS015913448
    • MSK183650-1000L
    • SY040604
    • DB-051778
    • CS-0327134
    • NS00014117
    • P1290
    • D92101
    • Q27268356
    • 18-Pentatriacontanone Solution in Dichloromethane, 1000ug/mL
    • 504-53-0

  • Applications

    18-Pentatriacontanone (CAS number: 504-53-0) is a long-chain aliphatic ketone used primarily as a fragrance ingredient and fixative in perfumery to help retain and extend scent; it is commonly evaluated for cosmetic and personal care applications due to its waxy, low-volatility character; it may be incorporated into household fragrance products such as air fresheners and floor cleaners; it can serve as a processing aid or component in polymers/plastics and coatings; it is also considered as an intermediate or fragrance carrier in industrial manufacturing formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.15
    methanol 2.51
    isopropanol 2.43
    water 0.03
    ethyl acetate 60.4
    n-propanol 4.44
    acetone 22.97
    n-butanol 6.14
    acetonitrile 7.03
    DMF 38.91
    toluene 26.28
    isobutanol 5.49
    1,4-dioxane 60.94
    methyl acetate 31.9
    THF 163.91
    2-butanone 44.5
    n-pentanol 7.07
    sec-butanol 6.76
    n-hexane 9.7
    ethylene glycol 0.35
    NMP 251.72
    cyclohexane 53.92
    DMSO 49.68
    n-butyl acetate 92.75
    n-octanol 21.62
    chloroform 253.06
    n-propyl acetate 82.62
    acetic acid 12.9
    dichloromethane 240.82
    cyclohexanone 222.11
    propylene glycol 1.06
    isopropyl acetate 71.13
    DMAc 136.99
    2-ethoxyethanol 18.1
    isopentanol 10.39
    n-heptane 16.79
    ethyl formate 22.27
    1,2-dichloroethane 128.37
    n-hexanol 8.26
    2-methoxyethanol 14.15
    isobutyl acetate 62.82
    tetrachloromethane 72.44
    n-pentyl acetate 183.84
    transcutol 200.44
    n-heptanol 17.29
    ethylbenzene 28.38
    MIBK 59.98
    2-propoxyethanol 23.89
    tert-butanol 7.96
    MTBE 37.57
    2-butoxyethanol 48.59
    propionic acid 15.4
    o-xylene 34.34
    formic acid 2.58
    diethyl ether 23.29
    m-xylene 25.32
    p-xylene 42.94
    chlorobenzene 66.4
    dimethyl carbonate 19.65
    n-octane 9.31
    formamide 5.45
    cyclopentanone 202.3
    2-pentanone 50.26
    anisole 56.29
    cyclopentyl methyl ether 120.86
    gamma-butyrolactone 191.86
    1-methoxy-2-propanol 18.51
    pyridine 74.07
    3-pentanone 60.25
    furfural 136.09
    n-dodecane 4.17
    diethylene glycol 7.34
    diisopropyl ether 24.03
    tert-amyl alcohol 17.78
    acetylacetone 98.09
    n-hexadecane 5.36
    acetophenone 90.97
    methyl propionate 44.18
    isopentyl acetate 108.54
    trichloroethylene 272.28
    n-nonanol 25.9
    cyclohexanol 28.73
    benzyl alcohol 19.76
    2-ethylhexanol 21.11
    isooctanol 24.26
    dipropyl ether 72.8
    1,2-dichlorobenzene 111.41
    ethyl lactate 29.53
    propylene carbonate 136.43
    n-methylformamide 12.43
    2-pentanol 7.21
    n-pentane 4.96
    1-propoxy-2-propanol 38.98
    1-methoxy-2-propyl acetate 103.9
    2-(2-methoxypropoxy) propanol 73.07
    mesitylene 26.82
    ε-caprolactone 221.3
    p-cymene 36.37
    epichlorohydrin 180.89
    1,1,1-trichloroethane 204.94
    2-aminoethanol 1.58
    morpholine-4-carbaldehyde 120.35
    sulfolane 393.93
    2,2,4-trimethylpentane 10.39
    2-methyltetrahydrofuran 141.21
    n-hexyl acetate 154.46
    isooctane 5.1
    2-(2-butoxyethoxy)ethanol 73.45
    sec-butyl acetate 83.22
    tert-butyl acetate 133.0
    decalin 23.37
    glycerin 2.86
    diglyme 233.55
    acrylic acid 11.42
    isopropyl myristate 56.28
    n-butyric acid 38.45
    acetyl acetate 60.5
    di(2-ethylhexyl) phthalate 41.22
    ethyl propionate 83.6
    nitromethane 41.27
    1,2-diethoxyethane 124.74
    benzonitrile 35.15
    trioctyl phosphate 29.19
    1-bromopropane 69.41
    gamma-valerolactone 256.7
    n-decanol 15.6
    triethyl phosphate 99.56
    4-methyl-2-pentanol 9.38
    propionitrile 11.84
    vinylene carbonate 95.37
    1,1,2-trichlorotrifluoroethane 124.85
    DMS 72.06
    cumene 24.53
    2-octanol 20.89
    2-hexanone 66.09
    octyl acetate 59.43
    limonene 68.45
    1,2-dimethoxyethane 85.24
    ethyl orthosilicate 99.04
    tributyl phosphate 45.34
    diacetone alcohol 70.84
    N,N-dimethylaniline 51.7
    acrylonitrile 12.01
    aniline 21.0
    1,3-propanediol 3.63
    bromobenzene 96.49
    dibromomethane 143.7
    1,1,2,2-tetrachloroethane 290.38
    2-methyl-cyclohexyl acetate 138.17
    tetrabutyl urea 74.37
    diisobutyl methanol 25.33
    2-phenylethanol 22.1
    styrene 30.27
    dioctyl adipate 104.44
    dimethyl sulfate 66.8
    ethyl butyrate 141.51
    methyl lactate 18.28
    butyl lactate 93.07
    diethyl carbonate 81.64
    propanediol butyl ether 32.31
    triethyl orthoformate 143.49
    p-tert-butyltoluene 33.4
    methyl 4-tert-butylbenzoate 147.98
    morpholine 66.56
    tert-butylamine 7.68
    n-dodecanol 10.7
    dimethoxymethane 30.16
    ethylene carbonate 86.47
    cyrene 83.62
    2-ethoxyethyl acetate 169.09
    2-ethylhexyl acetate 112.0
    1,2,4-trichlorobenzene 143.14
    4-methylpyridine 71.42
    dibutyl ether 100.45
    2,6-dimethyl-4-heptanol 25.33
    DEF 88.37
    dimethyl isosorbide 236.8
    tetrachloroethylene 168.08
    eugenol 87.4
    triacetin 196.62
    span 80 65.91
    1,4-butanediol 2.18
    1,1-dichloroethane 92.32
    2-methyl-1-pentanol 13.4
    methyl formate 11.63
    2-methyl-1-butanol 10.81
    n-decane 11.49
    butyronitrile 14.99
    3,7-dimethyl-1-octanol 30.56
    1-chlorooctane 48.23
    1-chlorotetradecane 13.42
    n-nonane 11.18
    undecane 6.35
    tert-butylcyclohexane 15.77
    cyclooctane 18.7
    cyclopentanol 25.28
    tetrahydropyran 99.75
    tert-amyl methyl ether 56.71
    2,5,8-trioxanonane 126.9
    1-hexene 16.78
    2-isopropoxyethanol 20.26
    2,2,2-trifluoroethanol 11.67
    methyl butyrate 111.34

    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