2-Pentacosanone

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  • Identifiers

    CAS number
    75207-54-4

    Molecular formula
    C25H50O

    SMILES
    CCCCCCCCCCCCCCCCCCCCCCCC(=O)C

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  • Odor profile

    Fragrance
    Waxy 72.15%
    Fatty 62.75%
    Oily 47.37%
    Creamy 25.25%
    Odorless 24.72%
    Dairy 24.64%
    Fruity 22.51%
    Orris 22.09%
    Sweet 21.48%
    Meaty 21.0%

     

    Flavor
    Waxy 58.59%
    Alkane 39.06%
    Fatty 38.43%
    Mild 34.29%
    Fat 31.27%
    Oily 28.29%
    Bland 27.73%
    Coconut 25.83%
    Slightly waxy 25.79%
    Faint 24.26%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    11.7

    pKa est.
    8.58 (weak base)

    Molecular weight
    366.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    451°C

    Flash point

    • 197.16 ˚C est.

  • Synonyms

    • 2-Pentacosanone
    • 75207-54-4
    • pentacosa-2-one
    • Pentacosane-2-one
    • RefChem:88958
    • CDTIEPBCRWXMBD-UHFFFAOYSA-N
    • pentacosan-2-one
    • Pentacosanone
    • 104921-43-9
    • Pentacosanone;
    • SCHEMBL1412970
    • C25H50O
    • FP181080
    • F77320
    • 75207-54-4

  • Applications

    2-Pentacosanone (CAS 75207-54-4) is typically used in perfumery as a fragrance ingredient and a fixative to extend aroma; in cosmetics and personal care it may serve as a fragrance component and a texture-modifying additive for creams, lotions, and hair-care products; in household and cleaning products it can function as a fragrance additive in detergents, cleaners, and air fresheners; in industrial manufacturing it is commonly evaluated as an intermediate in fragrance chemistry for the synthesis of higher-molecular-weight odorants; and in the polymers and coatings sector it may act as a processing aid or plasticizer-like additive in certain formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.22
    methanol 3.92
    isopropanol 4.68
    water 0.01
    ethyl acetate 68.97
    n-propanol 6.68
    acetone 27.16
    n-butanol 9.79
    acetonitrile 9.59
    DMF 50.5
    toluene 27.83
    isobutanol 8.81
    1,4-dioxane 80.34
    methyl acetate 36.99
    THF 236.04
    2-butanone 52.36
    n-pentanol 9.97
    sec-butanol 10.59
    n-hexane 12.92
    ethylene glycol 0.45
    NMP 251.89
    cyclohexane 83.02
    DMSO 70.51
    n-butyl acetate 126.99
    n-octanol 28.78
    chloroform 283.05
    n-propyl acetate 113.78
    acetic acid 14.87
    dichloromethane 260.96
    cyclohexanone 260.66
    propylene glycol 1.64
    isopropyl acetate 90.83
    DMAc 149.7
    2-ethoxyethanol 26.14
    isopentanol 17.59
    n-heptane 26.06
    ethyl formate 26.19
    1,2-dichloroethane 146.36
    n-hexanol 13.78
    2-methoxyethanol 21.41
    isobutyl acetate 90.23
    tetrachloromethane 80.69
    n-pentyl acetate 222.68
    transcutol 296.99
    n-heptanol 23.04
    ethylbenzene 32.9
    MIBK 86.0
    2-propoxyethanol 35.65
    tert-butanol 17.48
    MTBE 55.62
    2-butoxyethanol 62.94
    propionic acid 18.47
    o-xylene 37.1
    formic acid 2.52
    diethyl ether 34.52
    m-xylene 28.79
    p-xylene 51.57
    chlorobenzene 72.57
    dimethyl carbonate 17.49
    n-octane 12.15
    formamide 5.25
    cyclopentanone 240.63
    2-pentanone 65.67
    anisole 74.04
    cyclopentyl methyl ether 160.84
    gamma-butyrolactone 207.75
    1-methoxy-2-propanol 29.63
    pyridine 82.26
    3-pentanone 68.61
    furfural 147.56
    n-dodecane 5.7
    diethylene glycol 10.76
    diisopropyl ether 35.17
    tert-amyl alcohol 29.21
    acetylacetone 108.7
    n-hexadecane 7.26
    acetophenone 108.58
    methyl propionate 47.84
    isopentyl acetate 149.04
    trichloroethylene 291.33
    n-nonanol 33.63
    cyclohexanol 45.12
    benzyl alcohol 27.5
    2-ethylhexanol 32.77
    isooctanol 32.17
    dipropyl ether 112.54
    1,2-dichlorobenzene 121.32
    ethyl lactate 38.73
    propylene carbonate 141.1
    n-methylformamide 13.85
    2-pentanol 11.65
    n-pentane 6.65
    1-propoxy-2-propanol 60.54
    1-methoxy-2-propyl acetate 130.37
    2-(2-methoxypropoxy) propanol 93.71
    mesitylene 32.14
    ε-caprolactone 244.1
    p-cymene 46.09
    epichlorohydrin 207.95
    1,1,1-trichloroethane 240.72
    2-aminoethanol 2.12
    morpholine-4-carbaldehyde 143.99
    sulfolane 427.85
    2,2,4-trimethylpentane 12.62
    2-methyltetrahydrofuran 186.62
    n-hexyl acetate 183.37
    isooctane 7.22
    2-(2-butoxyethoxy)ethanol 103.59
    sec-butyl acetate 108.4
    tert-butyl acetate 170.83
    decalin 31.4
    glycerin 4.08
    diglyme 302.31
    acrylic acid 12.42
    isopropyl myristate 73.65
    n-butyric acid 50.42
    acetyl acetate 63.57
    di(2-ethylhexyl) phthalate 49.21
    ethyl propionate 106.2
    nitromethane 45.67
    1,2-diethoxyethane 175.58
    benzonitrile 44.37
    trioctyl phosphate 35.94
    1-bromopropane 86.92
    gamma-valerolactone 286.5
    n-decanol 20.71
    triethyl phosphate 115.93
    4-methyl-2-pentanol 15.14
    propionitrile 15.58
    vinylene carbonate 95.03
    1,1,2-trichlorotrifluoroethane 139.42
    DMS 83.27
    cumene 30.92
    2-octanol 27.08
    2-hexanone 90.4
    octyl acetate 75.71
    limonene 91.64
    1,2-dimethoxyethane 133.16
    ethyl orthosilicate 120.09
    tributyl phosphate 54.12
    diacetone alcohol 98.44
    N,N-dimethylaniline 64.75
    acrylonitrile 14.62
    aniline 25.12
    1,3-propanediol 5.45
    bromobenzene 99.33
    dibromomethane 162.85
    1,1,2,2-tetrachloroethane 328.59
    2-methyl-cyclohexyl acetate 172.92
    tetrabutyl urea 92.35
    diisobutyl methanol 40.18
    2-phenylethanol 30.99
    styrene 35.38
    dioctyl adipate 128.44
    dimethyl sulfate 60.48
    ethyl butyrate 186.05
    methyl lactate 20.34
    butyl lactate 105.29
    diethyl carbonate 98.07
    propanediol butyl ether 43.67
    triethyl orthoformate 179.15
    p-tert-butyltoluene 42.64
    methyl 4-tert-butylbenzoate 163.54
    morpholine 93.76
    tert-butylamine 15.68
    n-dodecanol 14.9
    dimethoxymethane 39.38
    ethylene carbonate 90.35
    cyrene 100.33
    2-ethoxyethyl acetate 184.94
    2-ethylhexyl acetate 144.25
    1,2,4-trichlorobenzene 144.13
    4-methylpyridine 82.16
    dibutyl ether 142.4
    2,6-dimethyl-4-heptanol 40.18
    DEF 109.15
    dimethyl isosorbide 280.65
    tetrachloroethylene 190.87
    eugenol 101.55
    triacetin 224.0
    span 80 87.77
    1,4-butanediol 2.95
    1,1-dichloroethane 114.12
    2-methyl-1-pentanol 19.1
    methyl formate 11.85
    2-methyl-1-butanol 16.02
    n-decane 15.25
    butyronitrile 21.63
    3,7-dimethyl-1-octanol 43.27
    1-chlorooctane 61.95
    1-chlorotetradecane 18.12
    n-nonane 15.35
    undecane 8.51
    tert-butylcyclohexane 22.11
    cyclooctane 24.31
    cyclopentanol 40.2
    tetrahydropyran 137.28
    tert-amyl methyl ether 74.2
    2,5,8-trioxanonane 175.14
    1-hexene 23.1
    2-isopropoxyethanol 30.65
    2,2,2-trifluoroethanol 11.43
    methyl butyrate 146.71

    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