Isostearyl isobutyrate

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  • Identifiers

    CAS number
    1300074-28-5

    Molecular formula
    C22H44O2

    SMILES
    CC(C)CCCCCCCCCCCCCCCOC(=O)C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 70.28%
    Fatty 61.39%
    Oily 55.79%
    Fruity 30.63%
    Odorless 28.86%
    Sweet 26.33%
    Creamy 25.53%
    Milky 22.91%
    Woody 22.68%
    Clean 22.29%

     

    Flavor
    Waxy 55.41%
    Oily 45.77%
    Mild 38.94%
    Fatty 32.67%
    Bland 29.73%
    Soapy 29.43%
    Fat 26.3%
    Faint 25.94%
    Slightly waxy 24.19%
    Delicate 24.18%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.7

    pKa est.
    7.9 (neutral)

    Molecular weight
    340.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    377°C

    Flash point

    • 167.96 ˚C est.

  • Synonyms

    • Isostearyl isobutyrate
    • 16-Methylheptadecyl isobutyrate
    • KAK 184
    • UNII-52MGR8MV2R
    • 52MGR8MV2R
    • Isostearyl isobutyrate [INCI]
    • Propanoic acid, 2-methyl-, isooctadecyl ester
    • 1300074-28-5
    • WE(17:0(16Me)/3:0(2Me))
    • SCHEMBL6477990
    • CHEBI:196297
    • LMFA07010651
    • 16-methylheptadecyl 2-methylpropanoate
    • Q27261013
    • 1300074-28-5

  • Applications

    Isostearyl isobutyrate (CAS 1300074-28-5) is widely used in cosmetics and personal care as an emollient and slip agent, improving skin feel and serving as a solvent for fragrance oils in formulations. In perfumery, it functions as a carrier solvent for fragrance ingredients, aiding fragrance delivery and evaporation control. It also acts as a plasticizer for polymers and coatings, enhancing flexibility and processability in resin systems. In industrial formulations, it serves as a processing aid and solvent in coatings, inks, and cleaners, and as a diluent in various formulation workflows. These applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 160.12
    methanol 123.42
    isopropanol 260.86
    water 0.08
    ethyl acetate 1601.99
    n-propanol 268.2
    acetone 763.17
    n-butanol 387.09
    acetonitrile 312.79
    DMF 788.11
    toluene 542.88
    isobutanol 324.86
    1,4-dioxane 1193.27
    methyl acetate 767.37
    THF 2355.23
    2-butanone 1181.67
    n-pentanol 287.31
    sec-butanol 431.07
    n-hexane 224.34
    ethylene glycol 6.9
    NMP 1607.51
    cyclohexane 934.97
    DMSO 615.9
    n-butyl acetate 1741.04
    n-octanol 434.36
    chloroform 2995.9
    n-propyl acetate 1841.52
    acetic acid 270.52
    dichloromethane 2974.78
    cyclohexanone 3169.63
    propylene glycol 28.9
    isopropyl acetate 1594.39
    DMAc 1541.63
    2-ethoxyethanol 513.85
    isopentanol 577.14
    n-heptane 219.55
    ethyl formate 523.88
    1,2-dichloroethane 2054.1
    n-hexanol 286.71
    2-methoxyethanol 451.55
    isobutyl acetate 1214.43
    tetrachloromethane 903.77
    n-pentyl acetate 2303.77
    transcutol 2621.38
    n-heptanol 370.62
    ethylbenzene 436.98
    MIBK 1376.13
    2-propoxyethanol 540.44
    tert-butanol 553.74
    MTBE 1325.43
    2-butoxyethanol 802.07
    propionic acid 320.04
    o-xylene 528.08
    formic acid 34.61
    diethyl ether 1039.9
    m-xylene 460.56
    p-xylene 719.29
    chlorobenzene 925.25
    dimethyl carbonate 211.76
    n-octane 113.62
    formamide 87.6
    cyclopentanone 2322.83
    2-pentanone 1466.08
    anisole 779.38
    cyclopentyl methyl ether 1784.04
    gamma-butyrolactone 1999.82
    1-methoxy-2-propanol 586.76
    pyridine 1124.18
    3-pentanone 1110.67
    furfural 1217.54
    n-dodecane 49.99
    diethylene glycol 143.41
    diisopropyl ether 620.51
    tert-amyl alcohol 745.75
    acetylacetone 1473.46
    n-hexadecane 64.28
    acetophenone 951.56
    methyl propionate 857.67
    isopentyl acetate 1805.18
    trichloroethylene 3147.08
    n-nonanol 431.59
    cyclohexanol 934.48
    benzyl alcohol 373.38
    2-ethylhexanol 453.45
    isooctanol 465.02
    dipropyl ether 1043.56
    1,2-dichlorobenzene 1147.67
    ethyl lactate 378.42
    propylene carbonate 1274.83
    n-methylformamide 272.14
    2-pentanol 444.42
    n-pentane 147.5
    1-propoxy-2-propanol 732.69
    1-methoxy-2-propyl acetate 1258.16
    2-(2-methoxypropoxy) propanol 581.25
    mesitylene 390.03
    ε-caprolactone 2621.13
    p-cymene 387.65
    epichlorohydrin 2176.58
    1,1,1-trichloroethane 2826.83
    2-aminoethanol 41.97
    morpholine-4-carbaldehyde 1368.86
    sulfolane 2391.45
    2,2,4-trimethylpentane 163.0
    2-methyltetrahydrofuran 2403.89
    n-hexyl acetate 1969.56
    isooctane 100.16
    2-(2-butoxyethoxy)ethanol 859.74
    sec-butyl acetate 1559.13
    tert-butyl acetate 1971.95
    decalin 298.03
    glycerin 45.75
    diglyme 2294.88
    acrylic acid 174.96
    isopropyl myristate 615.1
    n-butyric acid 1097.68
    acetyl acetate 901.37
    di(2-ethylhexyl) phthalate 344.92
    ethyl propionate 1469.97
    nitromethane 758.71
    1,2-diethoxyethane 1730.23
    benzonitrile 627.57
    trioctyl phosphate 301.95
    1-bromopropane 1450.52
    gamma-valerolactone 2834.29
    n-decanol 255.39
    triethyl phosphate 622.95
    4-methyl-2-pentanol 369.21
    propionitrile 439.21
    vinylene carbonate 912.87
    1,1,2-trichlorotrifluoroethane 1102.56
    DMS 744.15
    cumene 329.65
    2-octanol 447.39
    2-hexanone 1363.13
    octyl acetate 710.06
    limonene 767.04
    1,2-dimethoxyethane 1744.03
    ethyl orthosilicate 665.41
    tributyl phosphate 419.61
    diacetone alcohol 1160.75
    N,N-dimethylaniline 560.64
    acrylonitrile 366.9
    aniline 428.07
    1,3-propanediol 140.13
    bromobenzene 1180.24
    dibromomethane 1997.59
    1,1,2,2-tetrachloroethane 3109.72
    2-methyl-cyclohexyl acetate 1166.82
    tetrabutyl urea 598.43
    diisobutyl methanol 384.7
    2-phenylethanol 369.83
    styrene 491.05
    dioctyl adipate 799.03
    dimethyl sulfate 439.15
    ethyl butyrate 1757.62
    methyl lactate 226.87
    butyl lactate 974.34
    diethyl carbonate 786.27
    propanediol butyl ether 505.83
    triethyl orthoformate 1212.9
    p-tert-butyltoluene 357.95
    methyl 4-tert-butylbenzoate 1011.72
    morpholine 1530.97
    tert-butylamine 425.76
    n-dodecanol 173.5
    dimethoxymethane 623.54
    ethylene carbonate 986.72
    cyrene 551.81
    2-ethoxyethyl acetate 1821.66
    2-ethylhexyl acetate 1601.04
    1,2,4-trichlorobenzene 1274.76
    4-methylpyridine 1374.14
    dibutyl ether 1415.59
    2,6-dimethyl-4-heptanol 384.7
    DEF 1739.45
    dimethyl isosorbide 1352.15
    tetrachloroethylene 2015.54
    eugenol 668.95
    triacetin 1410.46
    span 80 628.38
    1,4-butanediol 62.93
    1,1-dichloroethane 2017.53
    2-methyl-1-pentanol 441.42
    methyl formate 199.36
    2-methyl-1-butanol 494.4
    n-decane 138.88
    butyronitrile 720.81
    3,7-dimethyl-1-octanol 515.54
    1-chlorooctane 623.81
    1-chlorotetradecane 163.42
    n-nonane 145.51
    undecane 76.36
    tert-butylcyclohexane 226.01
    cyclooctane 243.59
    cyclopentanol 723.68
    tetrahydropyran 2264.27
    tert-amyl methyl ether 1204.67
    2,5,8-trioxanonane 1033.61
    1-hexene 481.95
    2-isopropoxyethanol 546.57
    2,2,2-trifluoroethanol 133.49
    methyl butyrate 2068.01

    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