Isopropyl heptadecanoate

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  • Identifiers

    CAS number
    39265-84-4

    Molecular formula
    C20H40O2

    SMILES
    CCCCCCCCCCCCCCCCC(=O)OC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 75.62%
    Fatty 75.25%
    Oily 65.0%
    Creamy 37.64%
    Dairy 30.12%
    Sweet 29.92%
    Fruity 29.28%
    Odorless 26.2%
    Milky 25.18%
    Soapy 23.76%

     

    Flavor
    Waxy 57.04%
    Oily 50.85%
    Fatty 49.26%
    Mild 42.42%
    Fat 35.52%
    Soapy 34.86%
    Coconut 32.88%
    Bland 32.69%
    Faint 30.15%
    Creamy 28.86%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.8

    pKa est.
    7.31 (neutral)

    Molecular weight
    312.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    358°C

    Flash point

    • 157.13 ˚C est.

  • Synonyms

    • Isopropyl heptadecanoate
    • propan-2-yl heptadecanoate
    • 39265-84-4
    • D2JKX5X0WD
    • EINECS 254-390-4
    • UNII-D2JKX5X0WD
    • i-Propyl heptadecanoate
    • SCHEMBL317355
    • DTXSID60192516
    • Heptadecanoic acid, 1-methylethyl ester
    • DB-255995
    • NS00022141
    • 39265-84-4

  • Applications

    Isopropyl heptadecanoate (CAS 39265-84-4) is commonly used as an emollient and solvent in cosmetics and personal care, providing skin conditioning and a light sensory feel; it serves as a carrier or solvent for fragrance oils in perfumery; in industrial contexts, it can function as a processing solvent and plasticizer in coatings, inks, and polymer formulations; it may act as a lubricant or processing aid in a range of industrial manufacturing processes; and it is employed as a carrier or co-solvent in household products and cleaners.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 247.64
    methanol 214.53
    isopropanol 408.52
    water 0.05
    ethyl acetate 1648.86
    n-propanol 396.02
    acetone 1132.93
    n-butanol 510.91
    acetonitrile 437.78
    DMF 1383.46
    toluene 672.08
    isobutanol 469.58
    1,4-dioxane 1386.44
    methyl acetate 951.28
    THF 3018.89
    2-butanone 1423.2
    n-pentanol 348.14
    sec-butanol 553.46
    n-hexane 336.14
    ethylene glycol 14.17
    NMP 2689.99
    cyclohexane 1337.28
    DMSO 1192.46
    n-butyl acetate 1708.97
    n-octanol 398.45
    chloroform 3498.19
    n-propyl acetate 1689.21
    acetic acid 383.22
    dichloromethane 3533.03
    cyclohexanone 3976.32
    propylene glycol 55.61
    isopropyl acetate 1503.9
    DMAc 2057.21
    2-ethoxyethanol 527.83
    isopentanol 653.1
    n-heptane 285.35
    ethyl formate 636.41
    1,2-dichloroethane 2557.13
    n-hexanol 363.58
    2-methoxyethanol 615.79
    isobutyl acetate 1160.27
    tetrachloromethane 924.99
    n-pentyl acetate 1989.42
    transcutol 2313.01
    n-heptanol 328.9
    ethylbenzene 483.31
    MIBK 1425.49
    2-propoxyethanol 637.9
    tert-butanol 714.32
    MTBE 1419.31
    2-butoxyethanol 694.36
    propionic acid 472.35
    o-xylene 583.17
    formic acid 50.37
    diethyl ether 1214.83
    m-xylene 516.35
    p-xylene 762.81
    chlorobenzene 1186.43
    dimethyl carbonate 284.07
    n-octane 117.55
    formamide 115.68
    cyclopentanone 3334.01
    2-pentanone 1637.56
    anisole 833.76
    cyclopentyl methyl ether 2252.46
    gamma-butyrolactone 2880.52
    1-methoxy-2-propanol 749.82
    pyridine 1556.13
    3-pentanone 1351.27
    furfural 1637.9
    n-dodecane 59.95
    diethylene glycol 201.29
    diisopropyl ether 651.61
    tert-amyl alcohol 836.25
    acetylacetone 1696.47
    n-hexadecane 77.42
    acetophenone 1007.28
    methyl propionate 1084.38
    isopentyl acetate 1648.63
    trichloroethylene 3664.87
    n-nonanol 397.49
    cyclohexanol 1237.71
    benzyl alcohol 452.16
    2-ethylhexanol 504.83
    isooctanol 381.03
    dipropyl ether 1251.84
    1,2-dichlorobenzene 1345.1
    ethyl lactate 440.35
    propylene carbonate 1706.95
    n-methylformamide 434.85
    2-pentanol 527.63
    n-pentane 205.02
    1-propoxy-2-propanol 797.49
    1-methoxy-2-propyl acetate 1266.57
    2-(2-methoxypropoxy) propanol 606.73
    mesitylene 427.58
    ε-caprolactone 3008.23
    p-cymene 391.39
    epichlorohydrin 2684.24
    1,1,1-trichloroethane 3118.16
    2-aminoethanol 77.64
    morpholine-4-carbaldehyde 1842.96
    sulfolane 3724.97
    2,2,4-trimethylpentane 163.13
    2-methyltetrahydrofuran 2838.4
    n-hexyl acetate 1908.19
    isooctane 97.26
    2-(2-butoxyethoxy)ethanol 826.01
    sec-butyl acetate 1375.45
    tert-butyl acetate 1872.01
    decalin 366.85
    glycerin 83.11
    diglyme 1911.16
    acrylic acid 272.71
    isopropyl myristate 648.43
    n-butyric acid 1273.54
    acetyl acetate 937.15
    di(2-ethylhexyl) phthalate 398.86
    ethyl propionate 1467.16
    nitromethane 985.58
    1,2-diethoxyethane 1511.23
    benzonitrile 807.52
    trioctyl phosphate 333.99
    1-bromopropane 1758.83
    gamma-valerolactone 3473.27
    n-decanol 257.35
    triethyl phosphate 669.01
    4-methyl-2-pentanol 381.7
    propionitrile 594.66
    vinylene carbonate 1181.4
    1,1,2-trichlorotrifluoroethane 1406.42
    DMS 889.88
    cumene 355.04
    2-octanol 375.31
    2-hexanone 1401.22
    octyl acetate 748.41
    limonene 873.16
    1,2-dimethoxyethane 1733.13
    ethyl orthosilicate 663.72
    tributyl phosphate 476.86
    diacetone alcohol 1196.53
    N,N-dimethylaniline 620.04
    acrylonitrile 542.87
    aniline 597.87
    1,3-propanediol 203.42
    bromobenzene 1460.07
    dibromomethane 2533.35
    1,1,2,2-tetrachloroethane 3721.77
    2-methyl-cyclohexyl acetate 1204.84
    tetrabutyl urea 703.79
    diisobutyl methanol 388.06
    2-phenylethanol 441.69
    styrene 586.35
    dioctyl adipate 902.38
    dimethyl sulfate 611.91
    ethyl butyrate 1638.88
    methyl lactate 324.29
    butyl lactate 926.54
    diethyl carbonate 819.11
    propanediol butyl ether 509.94
    triethyl orthoformate 1170.23
    p-tert-butyltoluene 363.83
    methyl 4-tert-butylbenzoate 1002.69
    morpholine 1936.62
    tert-butylamine 571.02
    n-dodecanol 187.42
    dimethoxymethane 833.58
    ethylene carbonate 1253.72
    cyrene 630.72
    2-ethoxyethyl acetate 1530.99
    2-ethylhexyl acetate 1471.19
    1,2,4-trichlorobenzene 1511.0
    4-methylpyridine 1693.22
    dibutyl ether 1428.2
    2,6-dimethyl-4-heptanol 388.06
    DEF 2023.71
    dimethyl isosorbide 1379.16
    tetrachloroethylene 2392.23
    eugenol 669.29
    triacetin 1462.43
    span 80 697.64
    1,4-butanediol 87.18
    1,1-dichloroethane 2433.87
    2-methyl-1-pentanol 460.31
    methyl formate 295.71
    2-methyl-1-butanol 585.49
    n-decane 147.9
    butyronitrile 843.86
    3,7-dimethyl-1-octanol 482.78
    1-chlorooctane 660.36
    1-chlorotetradecane 203.3
    n-nonane 153.41
    undecane 86.26
    tert-butylcyclohexane 265.03
    cyclooctane 304.1
    cyclopentanol 1127.99
    tetrahydropyran 2773.35
    tert-amyl methyl ether 1273.49
    2,5,8-trioxanonane 1044.98
    1-hexene 664.73
    2-isopropoxyethanol 533.9
    2,2,2-trifluoroethanol 180.54
    methyl butyrate 2039.3

    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