Octyldodecyl pca

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  • Identifiers

    CAS number
    37673-37-3

    Molecular formula
    C25H47NO3

    SMILES
    CCCCCCCCCCC(CCCCCCCC)COC(=O)[C@@H]1CCC(=O)N1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Waxy 51.32%
    Fatty 41.65%
    Oily 39.25%
    Odorless 30.35%
    Lactonic 27.76%
    Milky 27.4%
    Herbal 26.73%
    Fresh 25.93%
    Peach 25.41%
    Citrus 24.87%

     

    Flavor
    Bland 35.34%
    Mild 32.2%
    Waxy 32.19%
    Fatty 31.2%
    Odorless 27.95%
    Oily 26.39%
    Faint 25.86%
    Slightly waxy 22.68%
    Bay oil 20.92%
    Delicate 20.48%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.2

    pKa est.
    7.7 (neutral)

    Molecular weight
    409.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    554°C

    Flash point

    • 210.42 ˚C est.

  • Synonyms

    • 2-Octyldodecyl 5-oxo-L-prolinate
    • 37673-37-3
    • E25TY46YTD
    • EINECS 253-604-3
    • Ceramidone
    • OCTYLDODECYL PCA
    • DTXSID20191101
    • L-Proline, 5-oxo-, 2-octyldodecyl ester
    • 5-Oxo-L-proline 2-octyldodecyl ester
    • RefChem:856130
    • OCTYLDODECYL PCA [INCI]
    • DTXCID90113592
    • 253-604-3
    • 2-octyldodecyl (2S)-5-oxopyrrolidine-2-carboxylate
    • UNII-E25TY46YTD
    • SCHEMBL8749004
    • HQWLBRJUMWPIOA-WCSIJFPASA-N
    • NS00030252
    • 37673-37-3

  • Applications

    Octyldodecyl pca (CAS 37673-37-3) is typically employed as an emollient and solvent in cosmetic and personal care formulations, providing slip, aiding dispersion of fragrances and active ingredients, and improving texture. It can serve as a fragrance solvent or carrier in perfumery applications and scented products. The material may function as a processing aid or plasticizer in polymers and coatings, helping modify flexibility and processing characteristics. It is also used as an intermediate or specialty ester in chemical syntheses. In some formulations, it can act as a lipophilic carrier or co-emulsifier to support stable emulsions. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 45.59
    methanol 61.73
    isopropanol 45.98
    water 0.35
    ethyl acetate 328.93
    n-propanol 59.38
    acetone 208.78
    n-butanol 66.91
    acetonitrile 82.53
    DMF 262.64
    toluene 93.65
    isobutanol 55.54
    1,4-dioxane 205.15
    methyl acetate 201.36
    THF 580.58
    2-butanone 268.7
    n-pentanol 61.36
    sec-butanol 71.22
    n-hexane 10.39
    ethylene glycol 4.71
    NMP 697.11
    cyclohexane 37.08
    DMSO 257.26
    n-butyl acetate 266.26
    n-octanol 68.05
    chloroform 705.22
    n-propyl acetate 340.56
    acetic acid 159.03
    dichloromethane 787.12
    cyclohexanone 707.71
    propylene glycol 13.3
    isopropyl acetate 340.99
    DMAc 711.59
    2-ethoxyethanol 154.68
    isopentanol 87.71
    n-heptane 7.87
    ethyl formate 140.65
    1,2-dichloroethane 459.52
    n-hexanol 46.43
    2-methoxyethanol 141.33
    isobutyl acetate 214.57
    tetrachloromethane 140.35
    n-pentyl acetate 452.94
    transcutol 791.9
    n-heptanol 66.67
    ethylbenzene 63.69
    MIBK 245.71
    2-propoxyethanol 138.72
    tert-butanol 78.95
    MTBE 168.84
    2-butoxyethanol 211.53
    propionic acid 121.54
    o-xylene 85.9
    formic acid 40.83
    diethyl ether 110.03
    m-xylene 71.23
    p-xylene 97.22
    chlorobenzene 220.91
    dimethyl carbonate 93.43
    n-octane 6.04
    formamide 83.13
    cyclopentanone 679.82
    2-pentanone 291.45
    anisole 150.03
    cyclopentyl methyl ether 287.22
    gamma-butyrolactone 699.17
    1-methoxy-2-propanol 156.77
    pyridine 292.07
    3-pentanone 226.64
    furfural 490.41
    n-dodecane 4.41
    diethylene glycol 54.65
    diisopropyl ether 59.35
    tert-amyl alcohol 116.15
    acetylacetone 435.5
    n-hexadecane 5.39
    acetophenone 249.9
    methyl propionate 213.24
    isopentyl acetate 290.51
    trichloroethylene 880.19
    n-nonanol 70.95
    cyclohexanol 135.97
    benzyl alcohol 105.77
    2-ethylhexanol 53.58
    isooctanol 71.6
    dipropyl ether 88.29
    1,2-dichlorobenzene 272.23
    ethyl lactate 124.76
    propylene carbonate 460.15
    n-methylformamide 113.06
    2-pentanol 62.35
    n-pentane 7.39
    1-propoxy-2-propanol 138.92
    1-methoxy-2-propyl acetate 298.03
    2-(2-methoxypropoxy) propanol 179.52
    mesitylene 53.25
    ε-caprolactone 714.04
    p-cymene 46.41
    epichlorohydrin 634.72
    1,1,1-trichloroethane 518.68
    2-aminoethanol 20.01
    morpholine-4-carbaldehyde 444.94
    sulfolane 872.28
    2,2,4-trimethylpentane 13.34
    2-methyltetrahydrofuran 442.13
    n-hexyl acetate 378.59
    isooctane 5.98
    2-(2-butoxyethoxy)ethanol 240.44
    sec-butyl acetate 280.95
    tert-butyl acetate 377.67
    decalin 20.85
    glycerin 27.02
    diglyme 612.46
    acrylic acid 90.93
    isopropyl myristate 95.41
    n-butyric acid 312.81
    acetyl acetate 262.32
    di(2-ethylhexyl) phthalate 96.73
    ethyl propionate 278.12
    nitromethane 362.78
    1,2-diethoxyethane 285.35
    benzonitrile 156.16
    trioctyl phosphate 61.92
    1-bromopropane 204.37
    gamma-valerolactone 913.68
    n-decanol 41.84
    triethyl phosphate 135.09
    4-methyl-2-pentanol 53.97
    propionitrile 89.91
    vinylene carbonate 342.85
    1,1,2-trichlorotrifluoroethane 433.93
    DMS 212.42
    cumene 49.28
    2-octanol 62.83
    2-hexanone 250.32
    octyl acetate 131.06
    limonene 76.32
    1,2-dimethoxyethane 328.35
    ethyl orthosilicate 132.24
    tributyl phosphate 94.79
    diacetone alcohol 282.21
    N,N-dimethylaniline 109.57
    acrylonitrile 102.74
    aniline 107.98
    1,3-propanediol 49.07
    bromobenzene 247.35
    dibromomethane 425.23
    1,1,2,2-tetrachloroethane 770.87
    2-methyl-cyclohexyl acetate 207.38
    tetrabutyl urea 130.8
    diisobutyl methanol 41.67
    2-phenylethanol 90.48
    styrene 79.86
    dioctyl adipate 170.11
    dimethyl sulfate 218.96
    ethyl butyrate 248.97
    methyl lactate 103.79
    butyl lactate 255.16
    diethyl carbonate 143.96
    propanediol butyl ether 151.53
    triethyl orthoformate 186.96
    p-tert-butyltoluene 42.91
    methyl 4-tert-butylbenzoate 280.62
    morpholine 300.14
    tert-butylamine 47.63
    n-dodecanol 26.99
    dimethoxymethane 173.77
    ethylene carbonate 319.83
    cyrene 207.08
    2-ethoxyethyl acetate 510.78
    2-ethylhexyl acetate 229.8
    1,2,4-trichlorobenzene 329.67
    4-methylpyridine 314.73
    dibutyl ether 128.8
    2,6-dimethyl-4-heptanol 41.67
    DEF 402.62
    dimethyl isosorbide 370.57
    tetrachloroethylene 507.12
    eugenol 212.49
    triacetin 435.23
    span 80 158.55
    1,4-butanediol 24.65
    1,1-dichloroethane 388.38
    2-methyl-1-pentanol 86.05
    methyl formate 85.31
    2-methyl-1-butanol 86.99
    n-decane 10.44
    butyronitrile 113.82
    3,7-dimethyl-1-octanol 73.28
    1-chlorooctane 68.5
    1-chlorotetradecane 18.38
    n-nonane 9.09
    undecane 6.3
    tert-butylcyclohexane 14.39
    cyclooctane 10.36
    cyclopentanol 134.74
    tetrahydropyran 311.83
    tert-amyl methyl ether 168.61
    2,5,8-trioxanonane 303.24
    1-hexene 41.21
    2-isopropoxyethanol 140.67
    2,2,2-trifluoroethanol 103.09
    methyl butyrate 401.53

    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