Tridecyl Neopentanoate

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  • Identifiers

    CAS number
    106436-39-9

    Molecular formula
    C18H36O2

    SMILES
    CCCCCCCCCCCCCOC(=O)C(C)(C)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Waxy 66.16%
    Fatty 60.86%
    Oily 59.21%
    Fruity 50.08%
    Floral 33.44%
    Sweet 31.52%
    Fresh 31.48%
    Citrus 30.6%
    Creamy 29.0%
    Clean 28.78%

     

    Flavor
    Waxy 62.27%
    Oily 49.53%
    Floral 42.86%
    Fruity 40.96%
    Mild 37.53%
    Soapy 35.39%
    Sweet 33.82%
    Clean 29.73%
    Rose 29.65%
    Fatty 28.42%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.5

    pKa est.
    7.92 (neutral)

    Molecular weight
    284.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    325°C

    Flash point

    • 140.5 ˚C est.

  • Synonyms

    • Tridecyl neopentanoate
    • Crodamol TDNP
    • Ceraphyl 55
    • Trivent NP-13
    • 106436-39-9
    • Neopentanoic acid, tridecyl ester
    • UNII-3Z8H1DA7J5
    • 105859-93-6
    • 3Z8H1DA7J5
    • DTXSID00147601
    • RefChem:191457
    • DTXCID3070092
    • TRIDECYL NEOPENTANOATE [INCI]
    • 458-930-1
    • tridecyl 2,2-dimethylpropanoate
    • 2,2-Dimethylpropionic acid, tridecyl ester
    • Tridecyl pivalate #
    • SCHEMBL27450932
    • SCHEMBL28023406
    • Q27258245
    • 106436-39-9

  • Applications

    Tridecyl Neopentanoate (CAS 106436-39-9) is commonly used as an emollient and solvent in cosmetic and personal care formulations, helping to provide a smooth skin feel and to dissolve actives and fragrance ingredients. In perfumery and fragrance applications it serves as a solvent and carrier for aroma compounds, aiding even distribution within formulations. It may also function as a processing aid or solvent in household products such as cleaners and detergents. In coatings, inks, and plastics processing, it can act as a plasticizer or co-solvent to improve flexibility and handling of resin systems. It can be used as an intermediate or solvent in certain polymer formulation steps, depending on regulatory limits and formulation design.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3364.66
    methanol 2311.93
    isopropanol 4518.55
    water 0.3
    ethyl acetate 13776.36
    n-propanol 4138.51
    acetone 8965.07
    n-butanol 5172.64
    acetonitrile 4552.53
    DMF 6777.83
    toluene 4660.7
    isobutanol 4285.21
    1,4-dioxane 8129.78
    methyl acetate 6867.27
    THF 11163.67
    2-butanone 9541.74
    n-pentanol 3328.6
    sec-butanol 5191.93
    n-hexane 2998.82
    ethylene glycol 106.63
    NMP 5846.3
    cyclohexane 5862.83
    DMSO 3272.71
    n-butyl acetate 11686.93
    n-octanol 3265.44
    chloroform 15847.23
    n-propyl acetate 11679.22
    acetic acid 2500.04
    dichloromethane 15000.18
    cyclohexanone 15772.88
    propylene glycol 363.7
    isopropyl acetate 11022.05
    DMAc 7557.53
    2-ethoxyethanol 3948.82
    isopentanol 6057.0
    n-heptane 2147.34
    ethyl formate 5283.83
    1,2-dichloroethane 10950.76
    n-hexanol 3592.13
    2-methoxyethanol 4278.62
    isobutyl acetate 7268.54
    tetrachloromethane 4512.71
    n-pentyl acetate 10382.4
    transcutol 11731.74
    n-heptanol 3156.6
    ethylbenzene 3452.16
    MIBK 7578.69
    2-propoxyethanol 4480.49
    tert-butanol 6934.52
    MTBE 12432.72
    2-butoxyethanol 4564.12
    propionic acid 2994.89
    o-xylene 3531.87
    formic acid 331.5
    diethyl ether 11492.27
    m-xylene 3491.12
    p-xylene 5097.22
    chlorobenzene 5527.09
    dimethyl carbonate 1749.95
    n-octane 1081.85
    formamide 775.29
    cyclopentanone 10314.55
    2-pentanone 10938.34
    anisole 4627.99
    cyclopentyl methyl ether 9531.54
    gamma-butyrolactone 9396.54
    1-methoxy-2-propanol 4806.87
    pyridine 7327.61
    3-pentanone 7636.42
    furfural 5655.46
    n-dodecane 437.21
    diethylene glycol 1155.62
    diisopropyl ether 5105.17
    tert-amyl alcohol 7057.98
    acetylacetone 8122.81
    n-hexadecane 543.0
    acetophenone 4648.61
    methyl propionate 6502.21
    isopentyl acetate 10748.95
    trichloroethylene 16315.51
    n-nonanol 2851.34
    cyclohexanol 6892.23
    benzyl alcohol 2382.27
    2-ethylhexanol 3953.28
    isooctanol 3457.02
    dipropyl ether 7607.5
    1,2-dichlorobenzene 5645.73
    ethyl lactate 2002.79
    propylene carbonate 6116.82
    n-methylformamide 2997.23
    2-pentanol 5256.23
    n-pentane 2043.07
    1-propoxy-2-propanol 5304.79
    1-methoxy-2-propyl acetate 6489.98
    2-(2-methoxypropoxy) propanol 2648.26
    mesitylene 2547.66
    ε-caprolactone 12781.33
    p-cymene 2529.97
    epichlorohydrin 10286.01
    1,1,1-trichloroethane 14979.3
    2-aminoethanol 590.53
    morpholine-4-carbaldehyde 6489.12
    sulfolane 7448.18
    2,2,4-trimethylpentane 1291.31
    2-methyltetrahydrofuran 12031.04
    n-hexyl acetate 9650.97
    isooctane 959.64
    2-(2-butoxyethoxy)ethanol 4075.55
    sec-butyl acetate 9692.32
    tert-butyl acetate 10633.48
    decalin 1991.56
    glycerin 409.73
    diglyme 9805.86
    acrylic acid 1543.55
    isopropyl myristate 3112.19
    n-butyric acid 8773.16
    acetyl acetate 6105.04
    di(2-ethylhexyl) phthalate 1548.2
    ethyl propionate 9587.57
    nitromethane 5920.52
    1,2-diethoxyethane 9164.04
    benzonitrile 4610.77
    trioctyl phosphate 1521.93
    1-bromopropane 9320.22
    gamma-valerolactone 12082.84
    n-decanol 1801.83
    triethyl phosphate 2512.78
    4-methyl-2-pentanol 3446.8
    propionitrile 5905.53
    vinylene carbonate 5142.56
    1,1,2-trichlorotrifluoroethane 4765.07
    DMS 3686.91
    cumene 2434.34
    2-octanol 3303.63
    2-hexanone 8374.67
    octyl acetate 3453.68
    limonene 4371.0
    1,2-dimethoxyethane 10310.75
    ethyl orthosilicate 2868.42
    tributyl phosphate 2076.8
    diacetone alcohol 5925.05
    N,N-dimethylaniline 3282.83
    acrylonitrile 4567.79
    aniline 3307.85
    1,3-propanediol 1619.03
    bromobenzene 6896.04
    dibromomethane 10967.48
    1,1,2,2-tetrachloroethane 15394.77
    2-methyl-cyclohexyl acetate 5127.12
    tetrabutyl urea 2625.97
    diisobutyl methanol 2723.23
    2-phenylethanol 2354.86
    styrene 3862.54
    dioctyl adipate 3455.47
    dimethyl sulfate 2284.01
    ethyl butyrate 9711.17
    methyl lactate 1490.78
    butyl lactate 4341.26
    diethyl carbonate 4618.9
    propanediol butyl ether 2689.83
    triethyl orthoformate 5926.92
    p-tert-butyltoluene 2288.97
    methyl 4-tert-butylbenzoate 3959.5
    morpholine 9659.01
    tert-butylamine 5297.33
    n-dodecanol 1255.67
    dimethoxymethane 5341.47
    ethylene carbonate 5975.21
    cyrene 1851.61
    2-ethoxyethyl acetate 7588.45
    2-ethylhexyl acetate 8945.3
    1,2,4-trichlorobenzene 5618.51
    4-methylpyridine 9221.03
    dibutyl ether 8493.69
    2,6-dimethyl-4-heptanol 2723.23
    DEF 11073.8
    dimethyl isosorbide 4510.19
    tetrachloroethylene 10120.49
    eugenol 2850.2
    triacetin 5092.83
    span 80 2754.88
    1,4-butanediol 744.85
    1,1-dichloroethane 13528.83
    2-methyl-1-pentanol 3844.44
    methyl formate 2116.92
    2-methyl-1-butanol 5211.58
    n-decane 1119.34
    butyronitrile 9123.25
    3,7-dimethyl-1-octanol 3776.42
    1-chlorooctane 4202.72
    1-chlorotetradecane 1098.46
    n-nonane 1303.75
    undecane 631.95
    tert-butylcyclohexane 1760.81
    cyclooctane 1804.05
    cyclopentanol 4825.31
    tetrahydropyran 14457.76
    tert-amyl methyl ether 8994.31
    2,5,8-trioxanonane 4125.35
    1-hexene 5954.71
    2-isopropoxyethanol 3762.43
    2,2,2-trifluoroethanol 865.48
    methyl butyrate 13288.48

    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