Propanedioic acid, monooctyl ester

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  • Identifiers

    CAS number
    196503-34-1

    Molecular formula
    C11H19O4-

    SMILES
    CCCCCCCCOC(=O)CC(=O)[O-]

  • Odor profile

    Fragrance
    Fatty 63.88%
    Fruity 49.75%
    Oily 43.74%
    Waxy 42.63%
    Winey 37.3%
    Buttery 35.95%
    Dairy 35.55%
    Milky 32.86%
    Creamy 32.23%
    Lactonic 32.15%

     

    Flavor
    Fruity 56.86%
    Waxy 46.54%
    Fatty 45.23%
    Green 40.68%
    Oily 40.13%
    Cheese 39.52%
    Sweet 31.88%
    Creamy 30.19%
    Tropical 27.61%
    Sour 27.52%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    4.41 (weak acid)

    Molecular weight
    215.27 g/mol

    Flash point

    • 126.17 ˚C est.

  • Synonyms

    • 196503-34-1
    • Propanedioic acid, monooctyl ester
    • 3-(Octyloxy)-3-oxopropanoate
    • DTXSID30614351
    • AKOS030255576

  • Applications

    Propanedioic acid, monooctyl ester (CAS 196503-34-1) is used as a bio-based plasticizer for polymers such as PVC and polyesters, improving flexibility and processability; it also serves as a processing aid and lubricant in plastics manufacturing; it can function as a surfactant/emulsifier in cleaning formulations and industrial detergents; in coatings and inks, it is used to modify film properties and flow; in cosmetics and personal care it may be used as an emollient or solvent; and it can act as an intermediate in the synthesis of other succinate esters and specialty plasticizers for adhesives and alkyd resins.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 308.4
    methanol 375.8
    isopropanol 215.85
    water 0.11
    ethyl acetate 152.98
    n-propanol 187.86
    acetone 559.83
    n-butanol 164.97
    acetonitrile 156.75
    DMF 1193.56
    toluene 61.28
    isobutanol 143.95
    1,4-dioxane 236.46
    methyl acetate 146.16
    THF 997.72
    2-butanone 251.53
    n-pentanol 127.5
    sec-butanol 128.81
    n-hexane 9.21
    ethylene glycol 84.33
    NMP 977.19
    cyclohexane 9.87
    DMSO 2252.89
    n-butyl acetate 125.92
    n-octanol 38.47
    chloroform 336.59
    n-propyl acetate 118.35
    acetic acid 292.56
    dichloromethane 356.81
    cyclohexanone 429.0
    propylene glycol 176.33
    isopropyl acetate 128.61
    DMAc 812.09
    2-ethoxyethanol 251.79
    isopentanol 152.98
    n-heptane 3.14
    ethyl formate 111.44
    1,2-dichloroethane 337.76
    n-hexanol 90.71
    2-methoxyethanol 504.43
    isobutyl acetate 90.38
    tetrachloromethane 35.18
    n-pentyl acetate 71.6
    transcutol 889.52
    n-heptanol 33.33
    ethylbenzene 46.46
    MIBK 184.37
    2-propoxyethanol 257.2
    tert-butanol 308.17
    MTBE 143.18
    2-butoxyethanol 113.21
    propionic acid 173.57
    o-xylene 57.93
    formic acid 116.02
    diethyl ether 96.08
    m-xylene 69.17
    p-xylene 58.85
    chlorobenzene 107.46
    dimethyl carbonate 87.12
    n-octane 1.53
    formamide 206.1
    cyclopentanone 710.21
    2-pentanone 246.51
    anisole 132.19
    cyclopentyl methyl ether 285.46
    gamma-butyrolactone 653.75
    1-methoxy-2-propanol 445.55
    pyridine 229.91
    3-pentanone 132.07
    furfural 479.45
    n-dodecane 1.76
    diethylene glycol 237.77
    diisopropyl ether 37.03
    tert-amyl alcohol 183.42
    acetylacetone 387.65
    n-hexadecane 2.15
    acetophenone 154.25
    methyl propionate 161.87
    isopentyl acetate 140.74
    trichloroethylene 545.24
    n-nonanol 35.56
    cyclohexanol 154.65
    benzyl alcohol 131.28
    2-ethylhexanol 53.18
    isooctanol 33.12
    dipropyl ether 49.95
    1,2-dichlorobenzene 120.05
    ethyl lactate 90.63
    propylene carbonate 280.37
    n-methylformamide 336.17
    2-pentanol 98.12
    n-pentane 5.18
    1-propoxy-2-propanol 190.87
    1-methoxy-2-propyl acetate 196.48
    2-(2-methoxypropoxy) propanol 208.58
    mesitylene 47.77
    ε-caprolactone 303.58
    p-cymene 29.82
    epichlorohydrin 668.86
    1,1,1-trichloroethane 244.23
    2-aminoethanol 194.19
    morpholine-4-carbaldehyde 573.62
    sulfolane 1224.48
    2,2,4-trimethylpentane 5.9
    2-methyltetrahydrofuran 414.25
    n-hexyl acetate 116.66
    isooctane 5.58
    2-(2-butoxyethoxy)ethanol 247.28
    sec-butyl acetate 87.83
    tert-butyl acetate 202.66
    decalin 11.46
    glycerin 233.92
    diglyme 423.16
    acrylic acid 163.05
    isopropyl myristate 45.31
    n-butyric acid 235.58
    acetyl acetate 113.46
    di(2-ethylhexyl) phthalate 63.98
    ethyl propionate 108.63
    nitromethane 512.44
    1,2-diethoxyethane 133.23
    benzonitrile 140.6
    trioctyl phosphate 39.98
    1-bromopropane 126.28
    gamma-valerolactone 721.0
    n-decanol 25.95
    triethyl phosphate 60.03
    4-methyl-2-pentanol 68.82
    propionitrile 114.01
    vinylene carbonate 204.39
    1,1,2-trichlorotrifluoroethane 464.75
    DMS 118.51
    cumene 37.29
    2-octanol 24.2
    2-hexanone 162.27
    octyl acetate 56.06
    limonene 46.3
    1,2-dimethoxyethane 405.37
    ethyl orthosilicate 53.99
    tributyl phosphate 60.91
    diacetone alcohol 349.1
    N,N-dimethylaniline 108.61
    acrylonitrile 172.96
    aniline 120.45
    1,3-propanediol 240.68
    bromobenzene 111.82
    dibromomethane 222.54
    1,1,2,2-tetrachloroethane 486.12
    2-methyl-cyclohexyl acetate 102.19
    tetrabutyl urea 90.45
    diisobutyl methanol 38.69
    2-phenylethanol 105.56
    styrene 57.35
    dioctyl adipate 97.81
    dimethyl sulfate 257.94
    ethyl butyrate 90.64
    methyl lactate 163.03
    butyl lactate 96.91
    diethyl carbonate 62.92
    propanediol butyl ether 169.92
    triethyl orthoformate 67.62
    p-tert-butyltoluene 30.73
    methyl 4-tert-butylbenzoate 142.52
    morpholine 430.51
    tert-butylamine 144.91
    n-dodecanol 19.01
    dimethoxymethane 381.97
    ethylene carbonate 157.38
    cyrene 226.57
    2-ethoxyethyl acetate 122.84
    2-ethylhexyl acetate 93.89
    1,2,4-trichlorobenzene 160.89
    4-methylpyridine 241.41
    dibutyl ether 50.0
    2,6-dimethyl-4-heptanol 38.69
    DEF 281.7
    dimethyl isosorbide 371.58
    tetrachloroethylene 232.03
    eugenol 141.25
    triacetin 162.38
    span 80 150.76
    1,4-butanediol 90.61
    1,1-dichloroethane 255.43
    2-methyl-1-pentanol 112.47
    methyl formate 194.54
    2-methyl-1-butanol 129.91
    n-decane 2.87
    butyronitrile 135.72
    3,7-dimethyl-1-octanol 55.33
    1-chlorooctane 21.56
    1-chlorotetradecane 8.94
    n-nonane 2.52
    undecane 2.18
    tert-butylcyclohexane 11.16
    cyclooctane 3.27
    cyclopentanol 248.12
    tetrahydropyran 253.42
    tert-amyl methyl ether 113.16
    2,5,8-trioxanonane 336.33
    1-hexene 45.97
    2-isopropoxyethanol 167.78
    2,2,2-trifluoroethanol 87.39
    methyl butyrate 160.38

    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