Bis-Propylheptyl Carbonate

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  • Identifiers

    CAS number
    1238449-42-7

    Molecular formula
    C21H42O3

    SMILES
    CCCCCC(CCC)COC(=O)OCC(CCC)CCCCC

    Safety labels

  • Odor profile

    Fragrance
    Oily 51.24%
    Fruity 45.97%
    Floral 42.57%
    Waxy 42.33%
    Herbal 41.92%
    Green 37.76%
    Fresh 30.81%
    Fatty 30.6%
    Woody 29.9%
    Rose 28.08%

     

    Flavor
    Waxy 48.27%
    Oily 42.6%
    Mild 35.4%
    Fatty 29.09%
    Soapy 27.74%
    Floral 27.27%
    Bland 24.97%
    Beer 23.16%
    Delicate 22.96%
    Slightly waxy 22.81%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.9

    pKa est.
    6.92 (neutral)

    Molecular weight
    342.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    360°C

    Flash point

    • 168.24 ˚C est.

  • Synonyms

    • Bis-propylheptyl carbonate
    • W6KRW1503I
    • CETIOL KE 4664
    • Carbonic acid, bis (2-propylheptyl) ester
    • EC 627-085-2
    • 1-HEPTANOL, 2-PROPYL-, 1,1'-CARBONATE
    • Dipropylheptyl Carbonate
    • RefChem:569429
    • 627-085-2
    • UNII-W6KRW1503I
    • 1238449-42-7
    • Bis(2-propylheptyl) carbonate
    • SCHEMBL3781285
    • DTXSID00893676
    • NS00004076
    • Q27292398
    • 1238449-42-7

  • Applications

    Bis-Propylheptyl Carbonate (CAS 1238449-42-7) is used as a processing solvent and co-solvent in coatings, inks, and adhesive formulations, while functioning as a plasticizer for certain polymers to increase flexibility. It may serve as a reactive diluent in UV-curable coatings and in epoxy/polyurethane systems to reduce viscosity and improve application properties. Additionally, it can be a precursor for the synthesis of cyclic carbonates or other carbonate derivatives. In industrial manufacturing, it is also considered a cleaning solvent or degreasing aid for equipment and surfaces prior to processing, and its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1845.53
    methanol 1466.25
    isopropanol 2193.87
    water 0.61
    ethyl acetate 7979.86
    n-propanol 2264.66
    acetone 6284.02
    n-butanol 2531.15
    acetonitrile 2679.83
    DMF 7571.76
    toluene 4715.33
    isobutanol 2310.12
    1,4-dioxane 5222.5
    methyl acetate 4823.89
    THF 11116.87
    2-butanone 6650.26
    n-pentanol 1708.29
    sec-butanol 2766.53
    n-hexane 1157.39
    ethylene glycol 125.85
    NMP 12289.55
    cyclohexane 3187.56
    DMSO 6119.33
    n-butyl acetate 5863.13
    n-octanol 1268.16
    chloroform 13480.02
    n-propyl acetate 5776.32
    acetic acid 2292.21
    dichloromethane 15774.47
    cyclohexanone 14902.34
    propylene glycol 352.3
    isopropyl acetate 6537.13
    DMAc 9335.81
    2-ethoxyethanol 2276.0
    isopentanol 2919.15
    n-heptane 597.95
    ethyl formate 2793.59
    1,2-dichloroethane 13719.78
    n-hexanol 1628.1
    2-methoxyethanol 2870.13
    isobutyl acetate 3525.48
    tetrachloromethane 3292.6
    n-pentyl acetate 6214.76
    transcutol 7137.69
    n-heptanol 1261.85
    ethylbenzene 2220.58
    MIBK 5053.31
    2-propoxyethanol 2673.95
    tert-butanol 2956.37
    MTBE 6356.68
    2-butoxyethanol 2635.19
    propionic acid 2565.8
    o-xylene 3224.13
    formic acid 435.41
    diethyl ether 5531.9
    m-xylene 2946.12
    p-xylene 3457.87
    chlorobenzene 6939.18
    dimethyl carbonate 2005.1
    n-octane 279.13
    formamide 1209.26
    cyclopentanone 12636.64
    2-pentanone 7391.95
    anisole 3559.99
    cyclopentyl methyl ether 9253.62
    gamma-butyrolactone 10742.48
    1-methoxy-2-propanol 3110.58
    pyridine 8457.03
    3-pentanone 6247.29
    furfural 7245.48
    n-dodecane 128.55
    diethylene glycol 962.77
    diisopropyl ether 2695.49
    tert-amyl alcohol 3704.52
    acetylacetone 7341.14
    n-hexadecane 164.14
    acetophenone 3935.04
    methyl propionate 5786.59
    isopentyl acetate 6194.86
    trichloroethylene 20447.65
    n-nonanol 1187.63
    cyclohexanol 4778.19
    benzyl alcohol 2032.71
    2-ethylhexanol 1623.66
    isooctanol 1285.73
    dipropyl ether 2987.35
    1,2-dichlorobenzene 6790.17
    ethyl lactate 1530.96
    propylene carbonate 6486.45
    n-methylformamide 2958.67
    2-pentanol 2634.55
    n-pentane 948.2
    1-propoxy-2-propanol 2741.56
    1-methoxy-2-propyl acetate 4764.66
    2-(2-methoxypropoxy) propanol 1872.97
    mesitylene 2043.32
    ε-caprolactone 11349.22
    p-cymene 1252.63
    epichlorohydrin 13032.22
    1,1,1-trichloroethane 13161.87
    2-aminoethanol 559.36
    morpholine-4-carbaldehyde 7591.92
    sulfolane 13848.66
    2,2,4-trimethylpentane 676.11
    2-methyltetrahydrofuran 11580.21
    n-hexyl acetate 5749.49
    isooctane 412.52
    2-(2-butoxyethoxy)ethanol 2660.4
    sec-butyl acetate 4721.84
    tert-butyl acetate 7264.94
    decalin 1061.85
    glycerin 436.6
    diglyme 6243.75
    acrylic acid 1788.72
    isopropyl myristate 1637.41
    n-butyric acid 5225.66
    acetyl acetate 4471.09
    di(2-ethylhexyl) phthalate 1198.08
    ethyl propionate 5522.6
    nitromethane 5460.93
    1,2-diethoxyethane 4880.08
    benzonitrile 3688.68
    trioctyl phosphate 948.04
    1-bromopropane 8365.1
    gamma-valerolactone 12941.92
    n-decanol 744.33
    triethyl phosphate 1632.43
    4-methyl-2-pentanol 1641.54
    propionitrile 3229.82
    vinylene carbonate 4878.41
    1,1,2-trichlorotrifluoroethane 5932.32
    DMS 3705.09
    cumene 1368.69
    2-octanol 1324.38
    2-hexanone 4584.05
    octyl acetate 2079.77
    limonene 2532.8
    1,2-dimethoxyethane 5097.93
    ethyl orthosilicate 1642.87
    tributyl phosphate 1292.03
    diacetone alcohol 4613.53
    N,N-dimethylaniline 2519.92
    acrylonitrile 3262.45
    aniline 3669.12
    1,3-propanediol 1169.57
    bromobenzene 8546.94
    dibromomethane 11161.13
    1,1,2,2-tetrachloroethane 17674.36
    2-methyl-cyclohexyl acetate 3213.92
    tetrabutyl urea 1787.77
    diisobutyl methanol 1136.79
    2-phenylethanol 1911.01
    styrene 2846.11
    dioctyl adipate 2202.52
    dimethyl sulfate 3560.91
    ethyl butyrate 4502.6
    methyl lactate 1753.52
    butyl lactate 2894.08
    diethyl carbonate 2298.84
    propanediol butyl ether 1766.37
    triethyl orthoformate 2723.63
    p-tert-butyltoluene 1170.65
    methyl 4-tert-butylbenzoate 3164.11
    morpholine 8009.06
    tert-butylamine 2416.24
    n-dodecanol 522.71
    dimethoxymethane 4496.17
    ethylene carbonate 4902.63
    cyrene 1857.54
    2-ethoxyethyl acetate 5726.61
    2-ethylhexyl acetate 5168.61
    1,2,4-trichlorobenzene 7204.68
    4-methylpyridine 9747.9
    dibutyl ether 3148.54
    2,6-dimethyl-4-heptanol 1136.79
    DEF 9932.79
    dimethyl isosorbide 3744.3
    tetrachloroethylene 10933.93
    eugenol 2223.16
    triacetin 3981.32
    span 80 1849.48
    1,4-butanediol 480.5
    1,1-dichloroethane 12224.55
    2-methyl-1-pentanol 2068.71
    methyl formate 1835.19
    2-methyl-1-butanol 2945.32
    n-decane 296.73
    butyronitrile 3957.75
    3,7-dimethyl-1-octanol 1519.18
    1-chlorooctane 1812.46
    1-chlorotetradecane 500.59
    n-nonane 316.13
    undecane 180.12
    tert-butylcyclohexane 749.41
    cyclooctane 937.13
    cyclopentanol 4270.06
    tetrahydropyran 10237.5
    tert-amyl methyl ether 5494.62
    2,5,8-trioxanonane 3011.62
    1-hexene 2653.57
    2-isopropoxyethanol 2055.06
    2,2,2-trifluoroethanol 1083.9
    methyl butyrate 7174.29

    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