Panthenyl Ethyl Ether Acetate

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  • Identifiers

    CAS number
    119516-54-0

    Molecular formula
    C13H25NO5

    SMILES
    CCOCCCNC(=O)[C@@H](C(C)(C)COC(=O)C)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 36.19%
    Fruity 30.26%
    Mint 29.88%
    Cooling 29.26%
    Sweet 28.46%
    Milky 21.04%
    Savory 20.53%
    Fresh 20.03%
    Grape 19.31%
    Buttery 18.46%

     

    Flavor
    Fruity 63.52%
    Odorless 28.44%
    Bitter 26.6%
    Berry 26.29%
    Mild 26.02%
    Sweet 25.95%
    Tropical 22.59%
    Grape 22.38%
    Sweet-like 21.57%
    Creamy 21.22%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    7.11 (neutral)

    Molecular weight
    275.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    384°C

    Flash point

    • 175.53 ˚C est.

  • Synonyms

    • Panthenyl ethyl ether acetate
    • UNII-S2FA5ZM21C
    • S2FA5ZM21C
    • Panthenyl ethyl ether acetate [INCI]
    • 119516-54-0
    • Butanamide, 4-(acetyloxy)-N-(3-ethoxypropyl)-2-hydroxy-3,3-dimethyl-, (2R)-
    • Butanamide, 4-(acetyloxy)-N-(3-ethoxypropyl)-2-hydroxy-3,3-dimethyl-, (R)-
    • DTXSID50152482
    • RefChem:169901
    • DTXCID5074973
    • GMBVYJOWNGZGMU-NSHDSACASA-N
    • Q27288492
    • (3R)-4-[(3-Ethoxypropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl acetate
    • 119516-54-0

  • Applications

    Panthenyl Ethyl Ether Acetate (CAS 119516-54-0) is primarily used in cosmetics and personal care as a panthenol derivative, functioning as an emollient, humectant, and conditioning agent to improve moisture retention, softness, and manageability of skin and hair. It can act as a provitamin B5 source, releasing panthenol upon hydrolysis in formulations, and is often used as an intermediate in the synthesis of other panthenol derivatives for cosmetic and pharmaceutical applications. In industrial manufacturing, it may be employed as a specialty intermediate for producing panthenol-based ingredients and related compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 661.79
    methanol 1396.97
    isopropanol 356.62
    water 44.17
    ethyl acetate 101.82
    n-propanol 393.93
    acetone 329.09
    n-butanol 232.84
    acetonitrile 131.0
    DMF 973.15
    toluene 24.48
    isobutanol 224.69
    1,4-dioxane 261.28
    methyl acetate 127.4
    THF 362.93
    2-butanone 161.36
    n-pentanol 153.96
    sec-butanol 256.27
    n-hexane 2.29
    ethylene glycol 243.41
    NMP 589.15
    cyclohexane 4.66
    DMSO 1203.29
    n-butyl acetate 40.86
    n-octanol 43.04
    chloroform 261.54
    n-propyl acetate 59.33
    acetic acid 1230.83
    dichloromethane 251.39
    cyclohexanone 296.81
    propylene glycol 351.2
    isopropyl acetate 65.33
    DMAc 857.26
    2-ethoxyethanol 387.99
    isopentanol 139.45
    n-heptane 1.21
    ethyl formate 179.47
    1,2-dichloroethane 155.95
    n-hexanol 74.75
    2-methoxyethanol 694.68
    isobutyl acetate 42.6
    tetrachloromethane 32.24
    n-pentyl acetate 39.06
    transcutol 374.52
    n-heptanol 43.17
    ethylbenzene 18.09
    MIBK 73.15
    2-propoxyethanol 193.87
    tert-butanol 330.55
    MTBE 94.84
    2-butoxyethanol 119.18
    propionic acid 336.7
    o-xylene 27.81
    formic acid 1273.64
    diethyl ether 52.23
    m-xylene 21.81
    p-xylene 27.65
    chlorobenzene 45.72
    dimethyl carbonate 66.04
    n-octane 1.17
    formamide 866.53
    cyclopentanone 324.93
    2-pentanone 115.82
    anisole 52.99
    cyclopentyl methyl ether 99.13
    gamma-butyrolactone 365.68
    1-methoxy-2-propanol 351.18
    pyridine 143.23
    3-pentanone 76.75
    furfural 339.79
    n-dodecane 1.12
    diethylene glycol 227.72
    diisopropyl ether 12.4
    tert-amyl alcohol 261.38
    acetylacetone 178.14
    n-hexadecane 1.25
    acetophenone 91.13
    methyl propionate 113.57
    isopentyl acetate 47.11
    trichloroethylene 293.25
    n-nonanol 37.85
    cyclohexanol 179.18
    benzyl alcohol 114.5
    2-ethylhexanol 30.96
    isooctanol 32.5
    dipropyl ether 15.08
    1,2-dichlorobenzene 48.26
    ethyl lactate 80.11
    propylene carbonate 192.61
    n-methylformamide 581.49
    2-pentanol 96.9
    n-pentane 2.08
    1-propoxy-2-propanol 96.96
    1-methoxy-2-propyl acetate 81.6
    2-(2-methoxypropoxy) propanol 108.45
    mesitylene 12.99
    ε-caprolactone 265.08
    p-cymene 11.93
    epichlorohydrin 324.66
    1,1,1-trichloroethane 95.72
    2-aminoethanol 464.89
    morpholine-4-carbaldehyde 494.04
    sulfolane 559.59
    2,2,4-trimethylpentane 3.26
    2-methyltetrahydrofuran 195.91
    n-hexyl acetate 61.84
    isooctane 1.47
    2-(2-butoxyethoxy)ethanol 139.86
    sec-butyl acetate 38.65
    tert-butyl acetate 79.46
    decalin 3.53
    glycerin 490.35
    diglyme 259.53
    acrylic acid 334.55
    isopropyl myristate 17.99
    n-butyric acid 354.16
    acetyl acetate 89.31
    di(2-ethylhexyl) phthalate 40.76
    ethyl propionate 51.88
    nitromethane 900.59
    1,2-diethoxyethane 52.81
    benzonitrile 77.82
    trioctyl phosphate 28.11
    1-bromopropane 51.69
    gamma-valerolactone 524.32
    n-decanol 24.51
    triethyl phosphate 33.27
    4-methyl-2-pentanol 43.82
    propionitrile 89.22
    vinylene carbonate 183.95
    1,1,2-trichlorotrifluoroethane 472.0
    DMS 61.54
    cumene 14.68
    2-octanol 25.65
    2-hexanone 69.69
    octyl acetate 28.55
    limonene 18.74
    1,2-dimethoxyethane 346.23
    ethyl orthosilicate 29.26
    tributyl phosphate 32.71
    diacetone alcohol 180.16
    N,N-dimethylaniline 50.03
    acrylonitrile 135.95
    aniline 84.31
    1,3-propanediol 490.43
    bromobenzene 34.33
    dibromomethane 137.37
    1,1,2,2-tetrachloroethane 270.1
    2-methyl-cyclohexyl acetate 45.1
    tetrabutyl urea 44.97
    diisobutyl methanol 15.99
    2-phenylethanol 68.66
    styrene 21.14
    dioctyl adipate 41.37
    dimethyl sulfate 180.61
    ethyl butyrate 33.58
    methyl lactate 149.37
    butyl lactate 66.66
    diethyl carbonate 28.27
    propanediol butyl ether 150.8
    triethyl orthoformate 30.77
    p-tert-butyltoluene 11.67
    methyl 4-tert-butylbenzoate 85.57
    morpholine 407.65
    tert-butylamine 96.8
    n-dodecanol 16.47
    dimethoxymethane 234.94
    ethylene carbonate 147.8
    cyrene 159.18
    2-ethoxyethyl acetate 71.08
    2-ethylhexyl acetate 31.97
    1,2,4-trichlorobenzene 69.53
    4-methylpyridine 152.63
    dibutyl ether 18.02
    2,6-dimethyl-4-heptanol 15.99
    DEF 218.57
    dimethyl isosorbide 147.27
    tetrachloroethylene 176.61
    eugenol 83.56
    triacetin 94.47
    span 80 92.51
    1,4-butanediol 216.27
    1,1-dichloroethane 120.88
    2-methyl-1-pentanol 109.77
    methyl formate 398.05
    2-methyl-1-butanol 160.18
    n-decane 2.05
    butyronitrile 94.71
    3,7-dimethyl-1-octanol 36.08
    1-chlorooctane 12.83
    1-chlorotetradecane 4.36
    n-nonane 1.79
    undecane 1.44
    tert-butylcyclohexane 3.2
    cyclooctane 1.64
    cyclopentanol 228.46
    tetrahydropyran 162.88
    tert-amyl methyl ether 81.58
    2,5,8-trioxanonane 163.37
    1-hexene 12.16
    2-isopropoxyethanol 186.66
    2,2,2-trifluoroethanol 417.52
    methyl butyrate 92.85

    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