Benzoylstearoylmethane

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  • Identifiers

    CAS number
    58446-52-9

    Molecular formula
    C26H42O2

    SMILES
    CCCCCCCCCCCCCCCCCC(=O)CC(=O)C1=CC=CC=C1

    Safety labels

  • Odor profile

    Fragrance
    Waxy 60.02%
    Fatty 58.29%
    Oily 37.82%
    Balsamic 28.54%
    Sweet 27.54%
    Odorless 27.44%
    Woody 26.7%
    Creamy 26.36%
    Dairy 26.28%
    Milky 25.95%

     

    Flavor
    Fatty 36.47%
    Waxy 35.11%
    Mild 29.95%
    Oily 29.85%
    Herbal 29.36%
    Bland 25.03%
    Fat 24.5%
    Woody 24.01%
    Faint 23.7%
    Slightly waxy 22.94%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.9

    pKa est.
    8.1 (weak base)

    Molecular weight
    386.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    506°C

    Flash point

    • 210.11 ˚C est.

  • Synonyms

    • 1-phenylicosane-1,3-dione
    • 58446-52-9
    • Stearoylbenzoylmethane
    • Phenylicosane-1,3-dione
    • Benzoylstearoyl methane
    • 1,3-Eicosanedione, 1-phenyl-
    • 1-Phenyl-1,3-eicosanedione
    • Benzoylstearoylmethane
    • 07BOC4UG1X
    • RHODIASTAB 50
    • EINECS 261-257-4
    • KARENZ DK 1
    • STEARYL BENZOYL METHANE
    • DTXSID1052246
    • .BETA.-STEAROYLACETOPHENONE
    • 1-PHENYLEICOSANE-1,3-DIONE
    • AD 157
    • RefChem:566481
    • BETA-STEAROYLACETOPHENONE
    • DTXCID6030817
    • 261-257-4
    • C26H42O2
    • MFCD08274657
    • UNII-07BOC4UG1X
    • stearoylbenzylmethane
    • 1-Benzoyl-2-nonadecanone
    • SCHEMBL98957
    • SCHEMBL28915762
    • CHEBI:169186
    • LRQGFQDEQPZDQC-UHFFFAOYSA-N
    • AKOS015890290
    • FS32596
    • AC-20475
    • AS-15151
    • CS-0152208
    • NS00019827
    • 446S529
    • Q27236289
    • 58446-52-9

  • Applications

    Benzoylstearoylmethane (CAS 58446-52-9) has applications across several formulation contexts: in perfumery it may function as a fragrance ingredient and fixative to help carry and prolong scent notes; in cosmetics and personal care it may act as an emollient oil or solvent component for creams and lotions; in coatings and inks it can serve as a waxy additive to adjust texture, gloss, and processability; in polymers and plastics it may be used as a processing aid or plasticizer in certain resin systems; in household and cleaning products it may act as a solubilizer or fragrance carrier to help dissolve or distribute odorants; in industrial manufacturing it may be encountered as an intermediate in synthetic routes to fragrances or specialty chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 49.34
    methanol 60.42
    isopropanol 53.95
    water 0.47
    ethyl acetate 383.0
    n-propanol 70.67
    acetone 372.73
    n-butanol 74.03
    acetonitrile 144.53
    DMF 594.08
    toluene 144.51
    isobutanol 73.06
    1,4-dioxane 367.12
    methyl acetate 300.87
    THF 950.96
    2-butanone 388.22
    n-pentanol 56.6
    sec-butanol 76.6
    n-hexane 22.16
    ethylene glycol 6.87
    NMP 1182.73
    cyclohexane 124.46
    DMSO 571.84
    n-butyl acetate 294.71
    n-octanol 56.5
    chloroform 1200.11
    n-propyl acetate 386.24
    acetic acid 160.62
    dichloromethane 1462.9
    cyclohexanone 1044.02
    propylene glycol 18.3
    isopropyl acetate 304.13
    DMAc 1009.89
    2-ethoxyethanol 137.68
    isopentanol 91.64
    n-heptane 19.64
    ethyl formate 198.31
    1,2-dichloroethane 966.17
    n-hexanol 47.72
    2-methoxyethanol 161.62
    isobutyl acetate 241.78
    tetrachloromethane 272.39
    n-pentyl acetate 426.92
    transcutol 628.41
    n-heptanol 57.35
    ethylbenzene 92.49
    MIBK 281.84
    2-propoxyethanol 136.52
    tert-butanol 105.84
    MTBE 178.79
    2-butoxyethanol 178.71
    propionic acid 166.62
    o-xylene 124.56
    formic acid 36.45
    diethyl ether 162.25
    m-xylene 100.93
    p-xylene 151.63
    chlorobenzene 347.11
    dimethyl carbonate 154.35
    n-octane 11.52
    formamide 103.09
    cyclopentanone 1155.85
    2-pentanone 367.86
    anisole 225.23
    cyclopentyl methyl ether 433.49
    gamma-butyrolactone 1128.64
    1-methoxy-2-propanol 162.97
    pyridine 503.16
    3-pentanone 353.71
    furfural 645.42
    n-dodecane 6.35
    diethylene glycol 57.61
    diisopropyl ether 72.33
    tert-amyl alcohol 115.73
    acetylacetone 570.2
    n-hexadecane 7.82
    acetophenone 327.24
    methyl propionate 304.65
    isopentyl acetate 278.32
    trichloroethylene 1542.56
    n-nonanol 59.28
    cyclohexanol 197.32
    benzyl alcohol 129.23
    2-ethylhexanol 63.64
    isooctanol 65.47
    dipropyl ether 159.17
    1,2-dichlorobenzene 432.5
    ethyl lactate 134.73
    propylene carbonate 628.6
    n-methylformamide 199.31
    2-pentanol 60.93
    n-pentane 16.01
    1-propoxy-2-propanol 151.06
    1-methoxy-2-propyl acetate 292.83
    2-(2-methoxypropoxy) propanol 159.98
    mesitylene 74.21
    ε-caprolactone 873.38
    p-cymene 66.27
    epichlorohydrin 1044.16
    1,1,1-trichloroethane 943.34
    2-aminoethanol 26.44
    morpholine-4-carbaldehyde 651.93
    sulfolane 1594.43
    2,2,4-trimethylpentane 17.29
    2-methyltetrahydrofuran 610.91
    n-hexyl acetate 317.76
    isooctane 8.83
    2-(2-butoxyethoxy)ethanol 203.72
    sec-butyl acetate 259.4
    tert-butyl acetate 369.88
    decalin 37.38
    glycerin 33.71
    diglyme 597.42
    acrylic acid 129.58
    isopropyl myristate 102.79
    n-butyric acid 303.94
    acetyl acetate 295.96
    di(2-ethylhexyl) phthalate 92.4
    ethyl propionate 332.34
    nitromethane 496.0
    1,2-diethoxyethane 312.99
    benzonitrile 213.36
    trioctyl phosphate 66.63
    1-bromopropane 382.0
    gamma-valerolactone 1235.54
    n-decanol 37.99
    triethyl phosphate 164.5
    4-methyl-2-pentanol 49.88
    propionitrile 150.69
    vinylene carbonate 499.32
    1,1,2-trichlorotrifluoroethane 588.03
    DMS 265.35
    cumene 65.05
    2-octanol 53.29
    2-hexanone 301.47
    octyl acetate 130.26
    limonene 114.62
    1,2-dimethoxyethane 419.6
    ethyl orthosilicate 157.45
    tributyl phosphate 100.35
    diacetone alcohol 304.88
    N,N-dimethylaniline 151.5
    acrylonitrile 167.26
    aniline 160.9
    1,3-propanediol 52.73
    bromobenzene 391.53
    dibromomethane 823.99
    1,1,2,2-tetrachloroethane 1375.39
    2-methyl-cyclohexyl acetate 240.94
    tetrabutyl urea 158.29
    diisobutyl methanol 51.2
    2-phenylethanol 97.64
    styrene 121.04
    dioctyl adipate 196.72
    dimethyl sulfate 373.4
    ethyl butyrate 305.51
    methyl lactate 125.55
    butyl lactate 233.58
    diethyl carbonate 198.54
    propanediol butyl ether 120.26
    triethyl orthoformate 226.84
    p-tert-butyltoluene 58.79
    methyl 4-tert-butylbenzoate 283.73
    morpholine 469.0
    tert-butylamine 69.3
    n-dodecanol 26.71
    dimethoxymethane 286.77
    ethylene carbonate 463.75
    cyrene 214.29
    2-ethoxyethyl acetate 451.23
    2-ethylhexyl acetate 241.22
    1,2,4-trichlorobenzene 510.99
    4-methylpyridine 451.01
    dibutyl ether 165.77
    2,6-dimethyl-4-heptanol 51.2
    DEF 505.38
    dimethyl isosorbide 437.07
    tetrachloroethylene 841.6
    eugenol 212.76
    triacetin 400.41
    span 80 149.22
    1,4-butanediol 25.08
    1,1-dichloroethane 714.34
    2-methyl-1-pentanol 72.92
    methyl formate 162.12
    2-methyl-1-butanol 92.12
    n-decane 14.6
    butyronitrile 161.32
    3,7-dimethyl-1-octanol 63.34
    1-chlorooctane 81.83
    1-chlorotetradecane 23.96
    n-nonane 13.95
    undecane 8.93
    tert-butylcyclohexane 25.34
    cyclooctane 24.55
    cyclopentanol 223.01
    tetrahydropyran 524.85
    tert-amyl methyl ether 173.3
    2,5,8-trioxanonane 307.71
    1-hexene 66.69
    2-isopropoxyethanol 123.15
    2,2,2-trifluoroethanol 121.15
    methyl butyrate 473.43

    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