Undecyl octanoate

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  • Identifiers

    CAS number
    42231-40-3

    Molecular formula
    C19H38O2

    SMILES
    CCCCCCCCCCCOC(=O)CCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Oily 73.02%
    Fatty 68.77%
    Waxy 63.04%
    Fruity 61.91%
    Floral 47.87%
    Winey 44.63%
    Cognac 42.49%
    Sweet 40.53%
    Rose 36.98%
    Creamy 34.83%

     

    Flavor
    Waxy 71.72%
    Oily 53.39%
    Fatty 53.23%
    Soapy 47.7%
    Sweet 43.22%
    Coconut 42.42%
    Mild 42.04%
    Fruity 41.7%
    Creamy 37.99%
    Fat 37.89%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.2

    pKa est.
    7.07 (neutral)

    Molecular weight
    298.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    353°C

    Flash point

    • 154.45 ˚C est.

  • Synonyms

    • Undecyl octanoate
    • 42231-40-3
    • EINECS 255-717-3
    • DTXSID10195057
    • RefChem:193114
    • DTXCID20117548
    • 255-717-3
    • SCHEMBL16845002
    • MRXRZUAPYOLFFW-UHFFFAOYSA-N
    • NS00031131
    • 42231-40-3

  • Applications

    Undecyl octanoate (CAS number: 42231-40-3) is a high-molecular-weight ester commonly used in fragrance applications as a fragrance ingredient and fixative to extend scent. It is also employed in cosmetics and personal care as a carrier and emollient that provides a smooth skin feel. In household products and cleaners, it can contribute fragrance notes and act as a solvent-like component in formulations. In polymers and coatings, it can function as a plasticizer or softening agent to improve film flexibility and processability. It may also be used as an additive in paints and inks to modulate texture and aroma. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 950.28
    methanol 796.12
    isopropanol 1384.1
    water 0.06
    ethyl acetate 4580.93
    n-propanol 1240.96
    acetone 3607.97
    n-butanol 1445.07
    acetonitrile 1388.05
    DMF 3448.55
    toluene 1471.27
    isobutanol 1321.35
    1,4-dioxane 3044.21
    methyl acetate 2438.2
    THF 6066.93
    2-butanone 3648.19
    n-pentanol 943.75
    sec-butanol 1522.22
    n-hexane 690.04
    ethylene glycol 41.95
    NMP 4930.59
    cyclohexane 2340.4
    DMSO 3649.01
    n-butyl acetate 4118.17
    n-octanol 808.88
    chloroform 6232.34
    n-propyl acetate 4410.94
    acetic acid 1050.76
    dichloromethane 6960.92
    cyclohexanone 8791.2
    propylene glycol 149.21
    isopropyl acetate 3796.24
    DMAc 4106.49
    2-ethoxyethanol 1397.74
    isopentanol 1774.45
    n-heptane 511.56
    ethyl formate 1628.49
    1,2-dichloroethane 5989.91
    n-hexanol 912.08
    2-methoxyethanol 1702.18
    isobutyl acetate 2502.85
    tetrachloromethane 1660.67
    n-pentyl acetate 4115.4
    transcutol 6108.42
    n-heptanol 712.22
    ethylbenzene 946.0
    MIBK 3188.48
    2-propoxyethanol 1537.82
    tert-butanol 2091.56
    MTBE 3677.23
    2-butoxyethanol 1530.43
    propionic acid 1272.46
    o-xylene 1178.33
    formic acid 141.32
    diethyl ether 3433.36
    m-xylene 1049.37
    p-xylene 1517.99
    chlorobenzene 2460.89
    dimethyl carbonate 677.03
    n-octane 198.65
    formamide 385.6
    cyclopentanone 6810.22
    2-pentanone 4325.43
    anisole 1680.1
    cyclopentyl methyl ether 4551.67
    gamma-butyrolactone 5776.37
    1-methoxy-2-propanol 1857.79
    pyridine 3882.34
    3-pentanone 3102.89
    furfural 3535.83
    n-dodecane 92.69
    diethylene glycol 501.44
    diisopropyl ether 1499.86
    tert-amyl alcohol 2055.38
    acetylacetone 4029.6
    n-hexadecane 119.14
    acetophenone 1950.76
    methyl propionate 2696.54
    isopentyl acetate 3837.98
    trichloroethylene 8522.38
    n-nonanol 745.71
    cyclohexanol 2916.19
    benzyl alcohol 913.35
    2-ethylhexanol 1088.03
    isooctanol 801.33
    dipropyl ether 2610.97
    1,2-dichlorobenzene 2605.71
    ethyl lactate 918.2
    propylene carbonate 3237.77
    n-methylformamide 1280.69
    2-pentanol 1464.76
    n-pentane 441.01
    1-propoxy-2-propanol 1840.23
    1-methoxy-2-propyl acetate 2814.27
    2-(2-methoxypropoxy) propanol 1115.01
    mesitylene 813.15
    ε-caprolactone 6368.72
    p-cymene 721.39
    epichlorohydrin 5739.28
    1,1,1-trichloroethane 6048.08
    2-aminoethanol 235.61
    morpholine-4-carbaldehyde 3733.28
    sulfolane 7013.43
    2,2,4-trimethylpentane 287.03
    2-methyltetrahydrofuran 6059.73
    n-hexyl acetate 3733.38
    isooctane 188.27
    2-(2-butoxyethoxy)ethanol 1718.59
    sec-butyl acetate 3214.63
    tert-butyl acetate 4194.58
    decalin 607.7
    glycerin 201.31
    diglyme 4231.72
    acrylic acid 689.9
    isopropyl myristate 1091.98
    n-butyric acid 3353.6
    acetyl acetate 2238.64
    di(2-ethylhexyl) phthalate 651.03
    ethyl propionate 3661.34
    nitromethane 2791.99
    1,2-diethoxyethane 3726.43
    benzonitrile 1828.22
    trioctyl phosphate 549.37
    1-bromopropane 3879.02
    gamma-valerolactone 7485.21
    n-decanol 461.89
    triethyl phosphate 1099.55
    4-methyl-2-pentanol 947.56
    propionitrile 1718.65
    vinylene carbonate 2427.7
    1,1,2-trichlorotrifluoroethane 2931.54
    DMS 1735.08
    cumene 656.08
    2-octanol 775.67
    2-hexanone 3211.07
    octyl acetate 1269.38
    limonene 1555.98
    1,2-dimethoxyethane 3907.76
    ethyl orthosilicate 1137.35
    tributyl phosphate 826.91
    diacetone alcohol 2779.48
    N,N-dimethylaniline 1175.5
    acrylonitrile 1585.22
    aniline 1373.37
    1,3-propanediol 628.15
    bromobenzene 3063.64
    dibromomethane 4935.04
    1,1,2,2-tetrachloroethane 7804.75
    2-methyl-cyclohexyl acetate 2078.85
    tetrabutyl urea 1169.57
    diisobutyl methanol 786.98
    2-phenylethanol 901.98
    styrene 1283.55
    dioctyl adipate 1490.51
    dimethyl sulfate 1266.66
    ethyl butyrate 3588.12
    methyl lactate 740.61
    butyl lactate 1901.15
    diethyl carbonate 1657.28
    propanediol butyl ether 1082.32
    triethyl orthoformate 2230.95
    p-tert-butyltoluene 652.09
    methyl 4-tert-butylbenzoate 1711.28
    morpholine 4674.67
    tert-butylamine 1492.52
    n-dodecanol 330.71
    dimethoxymethane 2054.54
    ethylene carbonate 2600.1
    cyrene 993.44
    2-ethoxyethyl acetate 3420.5
    2-ethylhexyl acetate 3193.75
    1,2,4-trichlorobenzene 2763.3
    4-methylpyridine 4037.9
    dibutyl ether 3022.17
    2,6-dimethyl-4-heptanol 786.98
    DEF 5048.07
    dimethyl isosorbide 2361.67
    tetrachloroethylene 5079.45
    eugenol 1197.23
    triacetin 2562.17
    span 80 1216.51
    1,4-butanediol 231.77
    1,1-dichloroethane 5386.89
    2-methyl-1-pentanol 1103.73
    methyl formate 790.56
    2-methyl-1-butanol 1535.05
    n-decane 235.5
    butyronitrile 2332.56
    3,7-dimethyl-1-octanol 948.55
    1-chlorooctane 1198.42
    1-chlorotetradecane 326.56
    n-nonane 253.34
    undecane 135.24
    tert-butylcyclohexane 426.56
    cyclooctane 519.11
    cyclopentanol 2429.05
    tetrahydropyran 6493.98
    tert-amyl methyl ether 2784.44
    2,5,8-trioxanonane 1986.0
    1-hexene 1555.65
    2-isopropoxyethanol 1301.93
    2,2,2-trifluoroethanol 413.76
    methyl butyrate 5064.04

    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