Butyl 16-methylheptadecanoate

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  • Identifiers

    CAS number
    94109-07-6

    Molecular formula
    C22H44O2

    SMILES
    CCCCOC(=O)CCCCCCCCCCCCCCC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 75.16%
    Fatty 66.32%
    Oily 58.8%
    Odorless 33.47%
    Creamy 30.28%
    Sweet 27.01%
    Fruity 23.72%
    Milky 22.18%
    Dairy 22.05%
    Soapy 21.03%

     

    Flavor
    Waxy 60.71%
    Oily 52.24%
    Fatty 47.49%
    Mild 44.01%
    Soapy 36.41%
    Fat 33.0%
    Coconut 32.62%
    Bland 31.08%
    Faint 30.44%
    Creamy 29.61%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.5

    pKa est.
    7.37 (neutral)

    Molecular weight
    340.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    383°C

    Flash point

    • 169.31 ˚C est.

  • Synonyms

    • Butyl 16-methylheptadecanoate
    • 94109-07-6
    • EINECS 302-444-3
    • DTXSID40240600
    • RefChem:122199
    • DTXCID30163091
    • 302-444-3
    • butyl isostearate
    • SCHEMBL29360551
    • BKEUNIPSDCRXQK-UHFFFAOYSA-N
    • NS00013414
    • 94109-07-6

  • Applications

    Butyl 16-methylheptadecanoate (CAS 94109-07-6) is a long-chain aliphatic fatty ester that commonly serves as a waxy, low-volatility component in formulated products. In cosmetics/personal care it acts as an emollient and carrier for creams and lotions; in perfumery it can function as a fragrance fixative or carrier for aroma compounds; in coatings and inks it can act as a plasticizer and slip agent to improve film flexibility and surface feel; in polymers/plastics it is used as a processing aid or plasticizer to aid processing and increase flexibility; in adhesives and household products it may be employed as a waxy additive to adjust texture, gloss, and surface appearance. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 132.03
    methanol 109.26
    isopropanol 210.38
    water 0.03
    ethyl acetate 1099.89
    n-propanol 205.42
    acetone 598.92
    n-butanol 296.83
    acetonitrile 210.94
    DMF 599.9
    toluene 386.98
    isobutanol 249.25
    1,4-dioxane 861.09
    methyl acetate 519.74
    THF 1968.28
    2-butanone 819.59
    n-pentanol 204.91
    sec-butanol 307.83
    n-hexane 134.58
    ethylene glycol 5.65
    NMP 1471.24
    cyclohexane 698.56
    DMSO 636.48
    n-butyl acetate 1265.54
    n-octanol 281.02
    chloroform 2212.59
    n-propyl acetate 1303.86
    acetic acid 216.12
    dichloromethane 2290.9
    cyclohexanone 2655.18
    propylene glycol 25.52
    isopropyl acetate 1110.55
    DMAc 1156.69
    2-ethoxyethanol 362.82
    isopentanol 424.27
    n-heptane 134.03
    ethyl formate 374.46
    1,2-dichloroethane 1610.17
    n-hexanol 213.7
    2-methoxyethanol 338.04
    isobutyl acetate 874.95
    tetrachloromethane 559.53
    n-pentyl acetate 1586.14
    transcutol 2121.39
    n-heptanol 235.94
    ethylbenzene 301.73
    MIBK 1017.27
    2-propoxyethanol 419.96
    tert-butanol 419.07
    MTBE 865.93
    2-butoxyethanol 546.57
    propionic acid 248.78
    o-xylene 372.76
    formic acid 26.11
    diethyl ether 667.39
    m-xylene 314.28
    p-xylene 487.78
    chlorobenzene 732.27
    dimethyl carbonate 146.44
    n-octane 65.79
    formamide 63.42
    cyclopentanone 2046.62
    2-pentanone 1048.77
    anisole 581.74
    cyclopentyl methyl ether 1329.94
    gamma-butyrolactone 1706.86
    1-methoxy-2-propanol 453.4
    pyridine 967.02
    3-pentanone 767.05
    furfural 1033.56
    n-dodecane 32.68
    diethylene glycol 119.35
    diisopropyl ether 389.01
    tert-amyl alcohol 513.2
    acetylacetone 1141.24
    n-hexadecane 42.59
    acetophenone 728.67
    methyl propionate 609.57
    isopentyl acetate 1290.25
    trichloroethylene 2516.55
    n-nonanol 284.68
    cyclohexanol 736.66
    benzyl alcohol 295.82
    2-ethylhexanol 321.48
    isooctanol 293.19
    dipropyl ether 750.3
    1,2-dichlorobenzene 889.95
    ethyl lactate 297.53
    propylene carbonate 1020.45
    n-methylformamide 197.51
    2-pentanol 304.84
    n-pentane 85.77
    1-propoxy-2-propanol 566.12
    1-methoxy-2-propyl acetate 978.12
    2-(2-methoxypropoxy) propanol 463.91
    mesitylene 270.81
    ε-caprolactone 2085.8
    p-cymene 266.79
    epichlorohydrin 1844.19
    1,1,1-trichloroethane 2043.21
    2-aminoethanol 34.35
    morpholine-4-carbaldehyde 1124.65
    sulfolane 2263.68
    2,2,4-trimethylpentane 95.99
    2-methyltetrahydrofuran 1797.01
    n-hexyl acetate 1431.14
    isooctane 58.21
    2-(2-butoxyethoxy)ethanol 675.74
    sec-butyl acetate 1076.05
    tert-butyl acetate 1388.74
    decalin 204.26
    glycerin 41.37
    diglyme 1673.65
    acrylic acid 133.13
    isopropyl myristate 443.52
    n-butyric acid 845.11
    acetyl acetate 608.45
    di(2-ethylhexyl) phthalate 282.03
    ethyl propionate 1019.25
    nitromethane 578.48
    1,2-diethoxyethane 1225.07
    benzonitrile 496.37
    trioctyl phosphate 224.27
    1-bromopropane 1039.05
    gamma-valerolactone 2464.41
    n-decanol 176.36
    triethyl phosphate 465.94
    4-methyl-2-pentanol 255.18
    propionitrile 301.22
    vinylene carbonate 718.34
    1,1,2-trichlorotrifluoroethane 889.06
    DMS 553.64
    cumene 226.77
    2-octanol 272.26
    2-hexanone 995.64
    octyl acetate 521.55
    limonene 568.65
    1,2-dimethoxyethane 1249.69
    ethyl orthosilicate 481.75
    tributyl phosphate 314.53
    diacetone alcohol 906.89
    N,N-dimethylaniline 407.72
    acrylonitrile 255.44
    aniline 343.65
    1,3-propanediol 112.84
    bromobenzene 895.94
    dibromomethane 1513.64
    1,1,2,2-tetrachloroethane 2469.01
    2-methyl-cyclohexyl acetate 886.97
    tetrabutyl urea 477.39
    diisobutyl methanol 264.99
    2-phenylethanol 299.84
    styrene 358.65
    dioctyl adipate 648.3
    dimethyl sulfate 341.97
    ethyl butyrate 1238.62
    methyl lactate 181.33
    butyl lactate 727.01
    diethyl carbonate 560.72
    propanediol butyl ether 381.74
    triethyl orthoformate 877.27
    p-tert-butyltoluene 245.53
    methyl 4-tert-butylbenzoate 782.21
    morpholine 1198.81
    tert-butylamine 314.19
    n-dodecanol 121.25
    dimethoxymethane 443.67
    ethylene carbonate 760.13
    cyrene 456.89
    2-ethoxyethyl acetate 1303.52
    2-ethylhexyl acetate 1106.15
    1,2,4-trichlorobenzene 1003.69
    4-methylpyridine 1100.34
    dibutyl ether 1005.04
    2,6-dimethyl-4-heptanol 264.99
    DEF 1225.23
    dimethyl isosorbide 1121.9
    tetrachloroethylene 1525.37
    eugenol 509.67
    triacetin 1113.83
    span 80 513.66
    1,4-butanediol 46.34
    1,1-dichloroethane 1503.34
    2-methyl-1-pentanol 300.94
    methyl formate 139.74
    2-methyl-1-butanol 352.98
    n-decane 86.58
    butyronitrile 488.77
    3,7-dimethyl-1-octanol 350.1
    1-chlorooctane 428.56
    1-chlorotetradecane 118.25
    n-nonane 86.87
    undecane 48.69
    tert-butylcyclohexane 142.92
    cyclooctane 161.73
    cyclopentanol 585.76
    tetrahydropyran 1781.98
    tert-amyl methyl ether 779.41
    2,5,8-trioxanonane 844.97
    1-hexene 327.29
    2-isopropoxyethanol 381.09
    2,2,2-trifluoroethanol 97.88
    methyl butyrate 1429.2

    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