Tridecyl Isononanoate

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  • Identifiers

    CAS number
    125804-18-4

    Molecular formula
    C22H44O2

    SMILES
    CCCCCCCCCCCCCOC(=O)CCCCCC(C)C

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  • Odor profile

    Fragrance
    Waxy 68.47%
    Oily 62.22%
    Fatty 61.49%
    Fruity 36.42%
    Odorless 31.95%
    Floral 31.65%
    Sweet 30.61%
    Creamy 28.28%
    Winey 23.98%
    Soapy 23.51%

     

    Flavor
    Waxy 59.57%
    Oily 51.24%
    Fatty 47.57%
    Mild 42.61%
    Soapy 36.5%
    Fat 34.29%
    Coconut 33.06%
    Bland 30.36%
    Faint 29.76%
    Creamy 28.53%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.5

    pKa est.
    7.43 (neutral)

    Molecular weight
    340.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    383°C

    Flash point

    • 168.58 ˚C est.

  • Synonyms

    • Tridecyl isononanoate
    • 125804-18-4
    • Isononanoic acid, tridecyl ester
    • UNII-0539372G7G
    • 0539372G7G
    • DTXSID60432388
    • RefChem:191454
    • DTXCID70383216
    • TRIDECYL ISONONANOATE [INCI]
    • Tridecyl 7-methyloctanoate
    • SCHEMBL27450026
    • NRLLZRJXDKUVHM-UHFFFAOYSA-N
    • Q27236064
    • 125804-18-4

  • Applications

    Tridecyl isononanoate (CAS 125804-18-4) is commonly used as an emollient and solvent in cosmetics and personal care, helping to soften the skin and act as a carrier for fragrance and active ingredients; in perfumery it can function as a fragrance solvent and carrier, aiding volatility control and blend; in polymers, plastics, coatings, and adhesives it serves as a plasticizer and processing aid to improve flexibility and workability; in household products and cleaners it acts as an emollient and solvent to improve texture and spread; in industrial manufacturing it may be used as a carrier fluid or processing aid in specialty formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 318.31
    methanol 259.38
    isopropanol 454.16
    water 0.05
    ethyl acetate 1904.0
    n-propanol 422.92
    acetone 1156.17
    n-butanol 559.54
    acetonitrile 377.05
    DMF 1015.64
    toluene 567.46
    isobutanol 468.53
    1,4-dioxane 1327.4
    methyl acetate 884.22
    THF 2926.09
    2-butanone 1354.08
    n-pentanol 364.09
    sec-butanol 554.46
    n-hexane 184.73
    ethylene glycol 11.93
    NMP 2071.16
    cyclohexane 861.08
    DMSO 1198.79
    n-butyl acetate 1911.43
    n-octanol 397.41
    chloroform 2935.82
    n-propyl acetate 2002.14
    acetic acid 388.54
    dichloromethane 3158.31
    cyclohexanone 3817.82
    propylene glycol 52.34
    isopropyl acetate 1806.05
    DMAc 1752.47
    2-ethoxyethanol 640.77
    isopentanol 754.29
    n-heptane 168.23
    ethyl formate 625.07
    1,2-dichloroethane 2368.7
    n-hexanol 371.55
    2-methoxyethanol 665.19
    isobutyl acetate 1284.9
    tetrachloromethane 736.43
    n-pentyl acetate 2208.46
    transcutol 3474.97
    n-heptanol 352.07
    ethylbenzene 404.02
    MIBK 1568.33
    2-propoxyethanol 711.37
    tert-butanol 810.2
    MTBE 1487.68
    2-butoxyethanol 806.93
    propionic acid 449.83
    o-xylene 517.81
    formic acid 51.07
    diethyl ether 1162.66
    m-xylene 455.16
    p-xylene 640.59
    chlorobenzene 1006.49
    dimethyl carbonate 241.96
    n-octane 79.35
    formamide 127.93
    cyclopentanone 2941.3
    2-pentanone 1730.51
    anisole 798.53
    cyclopentyl methyl ether 1988.88
    gamma-butyrolactone 2491.83
    1-methoxy-2-propanol 827.32
    pyridine 1389.25
    3-pentanone 1160.92
    furfural 1510.56
    n-dodecane 41.36
    diethylene glycol 218.01
    diisopropyl ether 624.32
    tert-amyl alcohol 856.3
    acetylacetone 1852.17
    n-hexadecane 53.26
    acetophenone 970.08
    methyl propionate 1025.16
    isopentyl acetate 1979.08
    trichloroethylene 3622.07
    n-nonanol 388.61
    cyclohexanol 1151.76
    benzyl alcohol 428.99
    2-ethylhexanol 482.14
    isooctanol 428.82
    dipropyl ether 1065.54
    1,2-dichlorobenzene 1173.04
    ethyl lactate 447.46
    propylene carbonate 1502.89
    n-methylformamide 372.81
    2-pentanol 546.3
    n-pentane 125.26
    1-propoxy-2-propanol 899.73
    1-methoxy-2-propyl acetate 1519.42
    2-(2-methoxypropoxy) propanol 650.04
    mesitylene 374.0
    ε-caprolactone 3000.92
    p-cymene 345.51
    epichlorohydrin 2739.3
    1,1,1-trichloroethane 2761.16
    2-aminoethanol 73.29
    morpholine-4-carbaldehyde 1710.04
    sulfolane 3248.5
    2,2,4-trimethylpentane 131.55
    2-methyltetrahydrofuran 2677.8
    n-hexyl acetate 1972.78
    isooctane 81.61
    2-(2-butoxyethoxy)ethanol 996.16
    sec-butyl acetate 1617.61
    tert-butyl acetate 2184.96
    decalin 247.44
    glycerin 77.67
    diglyme 2451.53
    acrylic acid 232.98
    isopropyl myristate 586.4
    n-butyric acid 1437.15
    acetyl acetate 994.0
    di(2-ethylhexyl) phthalate 372.76
    ethyl propionate 1577.96
    nitromethane 1046.76
    1,2-diethoxyethane 1854.91
    benzonitrile 719.95
    trioctyl phosphate 298.38
    1-bromopropane 1499.81
    gamma-valerolactone 3687.35
    n-decanol 240.77
    triethyl phosphate 594.67
    4-methyl-2-pentanol 432.9
    propionitrile 506.96
    vinylene carbonate 1062.24
    1,1,2-trichlorotrifluoroethane 1335.68
    DMS 817.6
    cumene 301.84
    2-octanol 395.96
    2-hexanone 1486.11
    octyl acetate 695.95
    limonene 739.2
    1,2-dimethoxyethane 1886.22
    ethyl orthosilicate 622.04
    tributyl phosphate 424.95
    diacetone alcohol 1490.95
    N,N-dimethylaniline 544.23
    acrylonitrile 436.1
    aniline 519.85
    1,3-propanediol 242.67
    bromobenzene 1214.85
    dibromomethane 2097.65
    1,1,2,2-tetrachloroethane 3425.9
    2-methyl-cyclohexyl acetate 1157.53
    tetrabutyl urea 620.84
    diisobutyl methanol 387.59
    2-phenylethanol 432.82
    styrene 497.74
    dioctyl adipate 838.19
    dimethyl sulfate 536.08
    ethyl butyrate 1782.52
    methyl lactate 304.65
    butyl lactate 1041.73
    diethyl carbonate 784.2
    propanediol butyl ether 587.77
    triethyl orthoformate 1185.01
    p-tert-butyltoluene 320.38
    methyl 4-tert-butylbenzoate 1012.37
    morpholine 1937.43
    tert-butylamine 560.29
    n-dodecanol 167.23
    dimethoxymethane 780.63
    ethylene carbonate 1153.12
    cyrene 595.09
    2-ethoxyethyl acetate 1917.28
    2-ethylhexyl acetate 1631.26
    1,2,4-trichlorobenzene 1312.18
    4-methylpyridine 1587.34
    dibutyl ether 1390.78
    2,6-dimethyl-4-heptanol 387.59
    DEF 1896.33
    dimethyl isosorbide 1471.21
    tetrachloroethylene 2170.45
    eugenol 678.99
    triacetin 1529.1
    span 80 694.28
    1,4-butanediol 87.8
    1,1-dichloroethane 2233.83
    2-methyl-1-pentanol 490.91
    methyl formate 250.58
    2-methyl-1-butanol 610.14
    n-decane 107.51
    butyronitrile 798.59
    3,7-dimethyl-1-octanol 499.82
    1-chlorooctane 560.81
    1-chlorotetradecane 151.74
    n-nonane 107.95
    undecane 61.4
    tert-butylcyclohexane 181.33
    cyclooctane 196.28
    cyclopentanol 923.12
    tetrahydropyran 2757.25
    tert-amyl methyl ether 1208.62
    2,5,8-trioxanonane 1182.7
    1-hexene 478.71
    2-isopropoxyethanol 631.24
    2,2,2-trifluoroethanol 167.17
    methyl butyrate 2155.01

    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