Diethyl palmitoyl aspartate

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  • Identifiers

    CAS number
    3397-14-6

    Molecular formula
    C24H45NO5

    SMILES
    CCCCCCCCCCCCCCCC(=O)N[C@@H](CC(=O)OCC)C(=O)OCC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 40.23%
    Odorless 38.99%
    Oily 35.78%
    Waxy 32.93%
    Peach 28.77%
    Lactonic 28.41%
    Milky 27.0%
    Fruity 24.19%
    Buttery 23.94%
    Savory 23.53%

     

    Flavor
    Bland 38.04%
    Mild 34.66%
    Odorless 32.96%
    Waxy 30.7%
    Oily 28.38%
    Fruity 24.89%
    Fatty 23.97%
    Faint 23.23%
    Slightly waxy 21.57%
    Beer 21.3%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.4

    pKa est.
    6.8 (neutral)

    Molecular weight
    427.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    519°C

    Flash point

    • 216.2 ˚C est.

  • Synonyms

    • Diethyl palmitoyl aspartate
    • 3397-14-6
    • Diethyl N-palmitoyl-L-aspartate
    • 9385QJ97ES
    • UNII-9385QJ97ES
    • Aspartic acid, N-palmitoyl-, diethyl ester
    • Aspartic acid, N-palmitoyl-, diethyl ester, L-
    • DTXSID40187581
    • RefChem:133433
    • DTXCID00110072
    • DIETHYL PALMITOYL ASPARTATE [INCI]
    • SCHEMBL5225925
    • HQXMTDSLKXAPTA-NRFANRHFSA-N
    • Diethyl N-hexadecanoyl-L-aspartate
    • Q27271573
    • 3397-14-6

  • Applications

    Diethyl palmitoyl aspartate (CAS 3397-14-6) is primarily used in cosmetics and personal care as an emollient and skin-conditioning ester, delivering a soft, smooth feel and improved slip in creams, lotions, and hair-care formulations. It is also explored as a plasticizer or processing aid in specialty polymers and coatings, enhancing flexibility and handling. In coatings and inks, it can function as a lubricating or texture-modifying additive to improve application properties and gloss. In industrial manufacturing, it can serve as an intermediate for the synthesis of lipid-like esters and related compounds, and may act as a carrier or texture modifier in formulated products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 35.73
    methanol 62.96
    isopropanol 29.13
    water 1.38
    ethyl acetate 221.29
    n-propanol 45.03
    acetone 193.41
    n-butanol 37.15
    acetonitrile 99.16
    DMF 700.25
    toluene 88.67
    isobutanol 37.35
    1,4-dioxane 158.48
    methyl acetate 237.92
    THF 405.59
    2-butanone 227.61
    n-pentanol 36.68
    sec-butanol 46.86
    n-hexane 7.03
    ethylene glycol 11.54
    NMP 2165.38
    cyclohexane 18.37
    DMSO 601.45
    n-butyl acetate 126.79
    n-octanol 26.8
    chloroform 604.72
    n-propyl acetate 180.1
    acetic acid 289.02
    dichloromethane 753.1
    cyclohexanone 577.83
    propylene glycol 21.14
    isopropyl acetate 153.91
    DMAc 1602.05
    2-ethoxyethanol 127.36
    isopentanol 40.35
    n-heptane 3.78
    ethyl formate 132.69
    1,2-dichloroethane 458.84
    n-hexanol 22.78
    2-methoxyethanol 159.49
    isobutyl acetate 91.44
    tetrachloromethane 118.32
    n-pentyl acetate 163.53
    transcutol 541.7
    n-heptanol 25.55
    ethylbenzene 53.95
    MIBK 110.07
    2-propoxyethanol 99.63
    tert-butanol 48.13
    MTBE 86.14
    2-butoxyethanol 115.35
    propionic acid 183.56
    o-xylene 95.14
    formic acid 121.11
    diethyl ether 58.78
    m-xylene 58.54
    p-xylene 81.42
    chlorobenzene 178.2
    dimethyl carbonate 175.46
    n-octane 2.39
    formamide 230.61
    cyclopentanone 715.9
    2-pentanone 172.21
    anisole 129.91
    cyclopentyl methyl ether 229.91
    gamma-butyrolactone 918.32
    1-methoxy-2-propanol 135.2
    pyridine 315.39
    3-pentanone 215.47
    furfural 742.02
    n-dodecane 1.7
    diethylene glycol 57.55
    diisopropyl ether 23.98
    tert-amyl alcohol 76.56
    acetylacetone 338.59
    n-hexadecane 2.04
    acetophenone 260.39
    methyl propionate 261.23
    isopentyl acetate 120.81
    trichloroethylene 1008.68
    n-nonanol 28.52
    cyclohexanol 95.0
    benzyl alcohol 96.68
    2-ethylhexanol 24.16
    isooctanol 26.49
    dipropyl ether 45.49
    1,2-dichlorobenzene 245.6
    ethyl lactate 104.69
    propylene carbonate 488.1
    n-methylformamide 276.89
    2-pentanol 30.35
    n-pentane 4.46
    1-propoxy-2-propanol 88.34
    1-methoxy-2-propyl acetate 181.21
    2-(2-methoxypropoxy) propanol 148.09
    mesitylene 35.99
    ε-caprolactone 622.4
    p-cymene 28.64
    epichlorohydrin 663.04
    1,1,1-trichloroethane 449.64
    2-aminoethanol 33.05
    morpholine-4-carbaldehyde 839.56
    sulfolane 1721.65
    2,2,4-trimethylpentane 7.42
    2-methyltetrahydrofuran 308.92
    n-hexyl acetate 163.28
    isooctane 2.35
    2-(2-butoxyethoxy)ethanol 164.48
    sec-butyl acetate 129.18
    tert-butyl acetate 180.29
    decalin 14.04
    glycerin 54.07
    diglyme 452.39
    acrylic acid 202.66
    isopropyl myristate 42.26
    n-butyric acid 220.67
    acetyl acetate 223.63
    di(2-ethylhexyl) phthalate 61.57
    ethyl propionate 193.09
    nitromethane 724.68
    1,2-diethoxyethane 140.04
    benzonitrile 127.47
    trioctyl phosphate 36.56
    1-bromopropane 141.84
    gamma-valerolactone 979.86
    n-decanol 17.24
    triethyl phosphate 115.73
    4-methyl-2-pentanol 21.28
    propionitrile 76.81
    vinylene carbonate 430.58
    1,1,2-trichlorotrifluoroethane 711.28
    DMS 208.53
    cumene 36.73
    2-octanol 21.47
    2-hexanone 139.84
    octyl acetate 63.61
    limonene 49.12
    1,2-dimethoxyethane 267.27
    ethyl orthosilicate 98.1
    tributyl phosphate 59.43
    diacetone alcohol 187.5
    N,N-dimethylaniline 122.01
    acrylonitrile 132.81
    aniline 118.0
    1,3-propanediol 47.44
    bromobenzene 197.21
    dibromomethane 363.81
    1,1,2,2-tetrachloroethane 844.73
    2-methyl-cyclohexyl acetate 123.14
    tetrabutyl urea 96.2
    diisobutyl methanol 16.07
    2-phenylethanol 58.8
    styrene 69.28
    dioctyl adipate 104.28
    dimethyl sulfate 605.55
    ethyl butyrate 132.14
    methyl lactate 149.25
    butyl lactate 137.51
    diethyl carbonate 105.34
    propanediol butyl ether 96.87
    triethyl orthoformate 117.3
    p-tert-butyltoluene 25.84
    methyl 4-tert-butylbenzoate 221.21
    morpholine 258.68
    tert-butylamine 27.98
    n-dodecanol 11.65
    dimethoxymethane 221.92
    ethylene carbonate 328.69
    cyrene 230.56
    2-ethoxyethyl acetate 272.53
    2-ethylhexyl acetate 105.43
    1,2,4-trichlorobenzene 355.12
    4-methylpyridine 341.19
    dibutyl ether 54.58
    2,6-dimethyl-4-heptanol 16.07
    DEF 460.04
    dimethyl isosorbide 354.41
    tetrachloroethylene 562.0
    eugenol 161.85
    triacetin 311.84
    span 80 104.7
    1,4-butanediol 24.33
    1,1-dichloroethane 301.39
    2-methyl-1-pentanol 47.04
    methyl formate 197.72
    2-methyl-1-butanol 50.99
    n-decane 3.77
    butyronitrile 65.45
    3,7-dimethyl-1-octanol 30.03
    1-chlorooctane 26.92
    1-chlorotetradecane 8.14
    n-nonane 3.31
    undecane 2.36
    tert-butylcyclohexane 8.71
    cyclooctane 5.4
    cyclopentanol 119.0
    tetrahydropyran 182.14
    tert-amyl methyl ether 111.24
    2,5,8-trioxanonane 261.65
    1-hexene 26.19
    2-isopropoxyethanol 94.4
    2,2,2-trifluoroethanol 216.6
    methyl butyrate 277.15

    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