Valeric acid, 2-propyl-, dodecyl ester

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  • Identifiers

    CAS number
    22632-60-6

    Molecular formula
    C20H40O2

    SMILES
    CCCCCCCCCCCCOC(=O)C(CCC)CCC

    Safety labels

  • Odor profile

    Fragrance
    Oily 61.72%
    Fruity 51.93%
    Fatty 49.14%
    Waxy 48.69%
    Herbal 38.45%
    Floral 32.81%
    Woody 29.16%
    Winey 25.64%
    Rose 25.54%
    Odorless 25.05%

     

    Flavor
    Waxy 54.75%
    Oily 47.36%
    Fatty 38.97%
    Mild 36.54%
    Soapy 33.65%
    Fruity 32.05%
    Floral 30.07%
    Fat 27.88%
    Creamy 24.63%
    Bland 24.5%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.5

    pKa est.
    7.0 (neutral)

    Molecular weight
    312.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    350°C

    Flash point

    • 156.86 ˚C est.

  • Synonyms

    • Dodecyl 2-propylvalerate
    • Valeric acid, 2-propyl-, dodecyl ester
    • 2-Propylvaleric acid dodecyl ester
    • 22632-60-6
    • Pentanoic acid, 2-propyl-, dodecyl ester
    • DTXSID70177172
    • RefChem:388285
    • DTXCID4099663
    • dodecyl 2-propylpentanoate
    • SCHEMBL7217217
    • 22632-60-6

  • Applications

    Valeric acid, 2-propyl-, dodecyl ester (CAS 22632-60-6) is a long-chain fatty acid ester commonly used in fragrance formulations as a scent component and fixative, helping to preserve aroma notes in perfumery and related cosmetics. It can function as a solvent or processing aid in coatings, inks, and polymer formulations, contributing to texture and gloss. In cosmetics and personal care, it may act as an emollient or carrier oil, improving slip and skin feel. It may also serve as a fragrance carrier or processing additive, and as a plasticizer or compatibility aid in plastics and adhesives. In household products and cleaners, it can act as a fragrance ingredient and solvent for waxy or resinous bases. In industrial manufacturing, it is often evaluated as a fragrance carrier or processing aid, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2216.75
    methanol 1618.12
    isopropanol 3045.43
    water 0.26
    ethyl acetate 7562.58
    n-propanol 3022.08
    acetone 6637.38
    n-butanol 3464.14
    acetonitrile 3265.75
    DMF 5478.4
    toluene 3564.97
    isobutanol 2975.6
    1,4-dioxane 6587.91
    methyl acetate 4573.85
    THF 10189.12
    2-butanone 6712.14
    n-pentanol 2039.8
    sec-butanol 3401.63
    n-hexane 1504.96
    ethylene glycol 85.03
    NMP 6901.97
    cyclohexane 5351.84
    DMSO 3786.99
    n-butyl acetate 7119.85
    n-octanol 1750.57
    chloroform 12361.46
    n-propyl acetate 6847.74
    acetic acid 1808.6
    dichloromethane 13034.04
    cyclohexanone 15697.06
    propylene glycol 257.93
    isopropyl acetate 6138.99
    DMAc 5638.99
    2-ethoxyethanol 2280.64
    isopentanol 3729.86
    n-heptane 1154.23
    ethyl formate 3364.52
    1,2-dichloroethane 10408.28
    n-hexanol 1986.61
    2-methoxyethanol 2788.63
    isobutyl acetate 4121.97
    tetrachloromethane 3308.84
    n-pentyl acetate 7135.9
    transcutol 6620.81
    n-heptanol 1618.47
    ethylbenzene 2043.97
    MIBK 5044.73
    2-propoxyethanol 2582.22
    tert-butanol 3783.97
    MTBE 6587.19
    2-butoxyethanol 2745.27
    propionic acid 2230.1
    o-xylene 2329.57
    formic acid 234.36
    diethyl ether 6573.99
    m-xylene 2209.26
    p-xylene 3273.85
    chlorobenzene 5489.58
    dimethyl carbonate 1152.94
    n-octane 497.79
    formamide 604.02
    cyclopentanone 11045.56
    2-pentanone 7455.18
    anisole 3137.33
    cyclopentyl methyl ether 7239.67
    gamma-butyrolactone 8690.07
    1-methoxy-2-propanol 2838.17
    pyridine 8241.98
    3-pentanone 5299.08
    furfural 5462.97
    n-dodecane 216.79
    diethylene glycol 751.45
    diisopropyl ether 2654.35
    tert-amyl alcohol 3693.43
    acetylacetone 5745.38
    n-hexadecane 272.05
    acetophenone 3304.85
    methyl propionate 4318.28
    isopentyl acetate 6308.77
    trichloroethylene 14923.79
    n-nonanol 1551.37
    cyclohexanol 5708.52
    benzyl alcohol 1767.79
    2-ethylhexanol 2141.34
    isooctanol 1694.66
    dipropyl ether 4387.89
    1,2-dichlorobenzene 5093.29
    ethyl lactate 1347.3
    propylene carbonate 5310.68
    n-methylformamide 2301.94
    2-pentanol 3208.73
    n-pentane 1130.89
    1-propoxy-2-propanol 2943.09
    1-methoxy-2-propyl acetate 3687.06
    2-(2-methoxypropoxy) propanol 1482.71
    mesitylene 1565.67
    ε-caprolactone 11046.29
    p-cymene 1441.38
    epichlorohydrin 9586.21
    1,1,1-trichloroethane 11400.86
    2-aminoethanol 429.02
    morpholine-4-carbaldehyde 5458.95
    sulfolane 8233.28
    2,2,4-trimethylpentane 600.6
    2-methyltetrahydrofuran 10644.69
    n-hexyl acetate 6212.99
    isooctane 410.48
    2-(2-butoxyethoxy)ethanol 2369.35
    sec-butyl acetate 5046.32
    tert-butyl acetate 6161.19
    decalin 1211.29
    glycerin 288.37
    diglyme 6051.11
    acrylic acid 1240.83
    isopropyl myristate 1829.74
    n-butyric acid 6037.04
    acetyl acetate 3664.16
    di(2-ethylhexyl) phthalate 1054.82
    ethyl propionate 5527.68
    nitromethane 4207.67
    1,2-diethoxyethane 5634.85
    benzonitrile 3809.47
    trioctyl phosphate 939.91
    1-bromopropane 7939.54
    gamma-valerolactone 11240.64
    n-decanol 929.16
    triethyl phosphate 1630.3
    4-methyl-2-pentanol 1956.4
    propionitrile 3961.87
    vinylene carbonate 4191.97
    1,1,2-trichlorotrifluoroethane 3892.48
    DMS 2595.89
    cumene 1337.57
    2-octanol 1708.95
    2-hexanone 5349.25
    octyl acetate 2184.7
    limonene 2800.09
    1,2-dimethoxyethane 6426.94
    ethyl orthosilicate 1689.83
    tributyl phosphate 1266.52
    diacetone alcohol 3556.66
    N,N-dimethylaniline 2021.91
    acrylonitrile 3364.17
    aniline 2872.98
    1,3-propanediol 1155.75
    bromobenzene 6571.83
    dibromomethane 9768.98
    1,1,2,2-tetrachloroethane 13137.21
    2-methyl-cyclohexyl acetate 3178.42
    tetrabutyl urea 1787.89
    diisobutyl methanol 1436.61
    2-phenylethanol 1651.43
    styrene 2697.84
    dioctyl adipate 2309.18
    dimethyl sulfate 1615.21
    ethyl butyrate 5856.39
    methyl lactate 1089.79
    butyl lactate 2895.04
    diethyl carbonate 2653.94
    propanediol butyl ether 1657.83
    triethyl orthoformate 3322.62
    p-tert-butyltoluene 1200.99
    methyl 4-tert-butylbenzoate 2650.97
    morpholine 8772.92
    tert-butylamine 2868.98
    n-dodecanol 648.49
    dimethoxymethane 3256.6
    ethylene carbonate 4786.29
    cyrene 1426.56
    2-ethoxyethyl acetate 5155.05
    2-ethylhexyl acetate 5236.55
    1,2,4-trichlorobenzene 4927.84
    4-methylpyridine 8554.25
    dibutyl ether 5062.31
    2,6-dimethyl-4-heptanol 1436.61
    DEF 8217.75
    dimethyl isosorbide 2918.58
    tetrachloroethylene 8284.52
    eugenol 2008.55
    triacetin 3385.2
    span 80 1765.78
    1,4-butanediol 462.44
    1,1-dichloroethane 10620.7
    2-methyl-1-pentanol 2238.72
    methyl formate 1478.06
    2-methyl-1-butanol 3322.42
    n-decane 557.0
    butyronitrile 5724.16
    3,7-dimethyl-1-octanol 1835.31
    1-chlorooctane 2410.64
    1-chlorotetradecane 643.84
    n-nonane 610.46
    undecane 314.44
    tert-butylcyclohexane 845.84
    cyclooctane 1210.56
    cyclopentanol 4818.52
    tetrahydropyran 13320.92
    tert-amyl methyl ether 4599.23
    2,5,8-trioxanonane 2695.65
    1-hexene 3355.77
    2-isopropoxyethanol 1992.79
    2,2,2-trifluoroethanol 693.5
    methyl butyrate 8117.77

    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