Panthenol triacetate, (+)-

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  • Identifiers

    CAS number
    94089-18-6

    Molecular formula
    C15H25NO7

    SMILES
    CC(=O)OCCCNC(=O)[C@@H](C(C)(C)COC(=O)C)OC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 44.17%
    Odorless 43.33%
    Grape 29.66%
    Fresh 23.07%
    Mint 22.31%
    Cooling 21.01%
    Tropical 20.74%
    Floral 20.52%
    Sweet 18.84%
    Milky 18.09%

     

    Flavor
    Fruity 77.52%
    Bitter 39.9%
    Mild 33.53%
    Tropical 28.92%
    Berry 27.18%
    Grape 26.91%
    Creamy 26.82%
    Odorless 26.32%
    Sweet 23.23%
    Dried berry 22.31%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    6.17 (neutral)

    Molecular weight
    331.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    412°C

    Flash point

    • 192.93 ˚C est.

  • Synonyms

    • 94089-18-6
    • Panthenol triacetate, (+)-
    • LIPODERMA DPT
    • RITAPAN TA
    • PANTHENYL TRIACETATE
    • D-PANTHENYLTRIACETATE
    • UNISPHERES GP-555
    • D-PANTHENYL TRIACETATE
    • DEXPANTHENOL TRIACETATE
    • 1206E8961B
    • UNII-1206E8961B
    • EINECS 302-118-0
    • PANTHENOL TRIACETATE, (2R)-
    • BUTANAMIDE, 2,4-BIS(ACETYLOXY)-N-(3-(ACETYLOXY)PROPYL)-3,3-DIMETHYL-, (2R)-
    • BUTANAMIDE, 2,4-BIS(ACETYLOXY)-N-(3-(ACETYLOXY)PROPYL)-3,3-DIMETHYL-, (R)-
    • RefChem:202500
    • PANTHENYL TRIACETATE [INCI]
    • 302-118-0
    • (+)-panthenol triacetate
    • 3-[[(2R)-2,4-diacetyloxy-3,3-dimethylbutanoyl]amino]propyl acetate
    • SCHEMBL20581947
    • IFYVAPPYWOMVDP-ZDUSSCGKSA-N
    • Q27251348
    • 4-((3-Acetoxypropyl)amino)-2,2-dimethyl-4-oxobutane-1,3-diyl diacetate
    • (3R)-4-{[3-(Acetyloxy)propyl]amino}-2,2-dimethyl-4-oxobutane-1,3-diyl diacetate
    • (R)-4-((3-Acetoxypropyl)amino)-2,2-dimethyl-4-oxobutane-1,3-diyl diacetate
    • 94089-18-6

  • Applications

    Panthenol triacetate, (+)-, CAS 94089-18-6, is used primarily in cosmetics and personal care as a pro-vitamin B5 derivative, providing conditioning and humectant properties for hair and skin; it also serves as an intermediate in the synthesis of pantothenic acid derivatives and can participate in formulations with controlled release of actives over time; in the plastics and polymer sector it can act as a hydrophilic modifier and, in some systems, as a minor plasticizer or film-forming aid to improve moisture management; in coatings and inks it may be employed as a moisture-retaining additive to influence drying behavior and film quality; in household cleaning products and detergents it is evaluated as a humectant/texture enhancer that helps preserve product aesthetics; subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 171.28
    methanol 290.46
    isopropanol 120.76
    water 7.49
    ethyl acetate 65.57
    n-propanol 114.27
    acetone 300.19
    n-butanol 76.12
    acetonitrile 98.75
    DMF 597.13
    toluene 14.72
    isobutanol 75.18
    1,4-dioxane 131.12
    methyl acetate 111.97
    THF 293.62
    2-butanone 154.05
    n-pentanol 67.25
    sec-butanol 88.0
    n-hexane 2.16
    ethylene glycol 46.49
    NMP 467.76
    cyclohexane 1.44
    DMSO 752.83
    n-butyl acetate 38.86
    n-octanol 26.37
    chloroform 174.96
    n-propyl acetate 53.31
    acetic acid 275.48
    dichloromethane 180.76
    cyclohexanone 180.99
    propylene glycol 72.94
    isopropyl acetate 42.84
    DMAc 754.14
    2-ethoxyethanol 184.79
    isopentanol 55.62
    n-heptane 0.69
    ethyl formate 113.96
    1,2-dichloroethane 114.83
    n-hexanol 32.99
    2-methoxyethanol 290.53
    isobutyl acetate 34.56
    tetrachloromethane 14.03
    n-pentyl acetate 28.52
    transcutol 152.09
    n-heptanol 19.45
    ethylbenzene 13.66
    MIBK 53.63
    2-propoxyethanol 116.3
    tert-butanol 119.0
    MTBE 47.59
    2-butoxyethanol 62.6
    propionic acid 119.66
    o-xylene 14.99
    formic acid 259.02
    diethyl ether 40.51
    m-xylene 10.08
    p-xylene 20.71
    chlorobenzene 28.13
    dimethyl carbonate 54.23
    n-octane 0.81
    formamide 235.16
    cyclopentanone 254.9
    2-pentanone 93.34
    anisole 40.62
    cyclopentyl methyl ether 59.48
    gamma-butyrolactone 291.09
    1-methoxy-2-propanol 177.02
    pyridine 105.3
    3-pentanone 64.83
    furfural 222.56
    n-dodecane 0.96
    diethylene glycol 100.74
    diisopropyl ether 7.41
    tert-amyl alcohol 94.06
    acetylacetone 130.06
    n-hexadecane 1.05
    acetophenone 67.57
    methyl propionate 82.77
    isopentyl acetate 40.05
    trichloroethylene 181.17
    n-nonanol 23.86
    cyclohexanol 54.34
    benzyl alcohol 66.52
    2-ethylhexanol 16.86
    isooctanol 15.71
    dipropyl ether 14.39
    1,2-dichlorobenzene 29.69
    ethyl lactate 51.23
    propylene carbonate 136.78
    n-methylformamide 269.46
    2-pentanol 36.29
    n-pentane 1.38
    1-propoxy-2-propanol 63.57
    1-methoxy-2-propyl acetate 57.82
    2-(2-methoxypropoxy) propanol 79.28
    mesitylene 5.74
    ε-caprolactone 160.26
    p-cymene 6.98
    epichlorohydrin 259.76
    1,1,1-trichloroethane 64.81
    2-aminoethanol 91.11
    morpholine-4-carbaldehyde 335.46
    sulfolane 412.79
    2,2,4-trimethylpentane 1.26
    2-methyltetrahydrofuran 134.84
    n-hexyl acetate 48.6
    isooctane 0.59
    2-(2-butoxyethoxy)ethanol 83.15
    sec-butyl acetate 31.98
    tert-butyl acetate 42.83
    decalin 1.98
    glycerin 127.75
    diglyme 161.65
    acrylic acid 113.23
    isopropyl myristate 16.27
    n-butyric acid 115.32
    acetyl acetate 46.11
    di(2-ethylhexyl) phthalate 28.14
    ethyl propionate 48.69
    nitromethane 393.71
    1,2-diethoxyethane 43.07
    benzonitrile 56.03
    trioctyl phosphate 19.32
    1-bromopropane 48.17
    gamma-valerolactone 363.99
    n-decanol 16.69
    triethyl phosphate 28.33
    4-methyl-2-pentanol 19.68
    propionitrile 70.19
    vinylene carbonate 118.43
    1,1,2-trichlorotrifluoroethane 213.62
    DMS 45.64
    cumene 10.44
    2-octanol 14.25
    2-hexanone 74.24
    octyl acetate 23.71
    limonene 9.38
    1,2-dimethoxyethane 268.64
    ethyl orthosilicate 23.99
    tributyl phosphate 25.44
    diacetone alcohol 93.96
    N,N-dimethylaniline 37.18
    acrylonitrile 90.65
    aniline 39.05
    1,3-propanediol 130.21
    bromobenzene 21.52
    dibromomethane 103.81
    1,1,2,2-tetrachloroethane 176.81
    2-methyl-cyclohexyl acetate 35.15
    tetrabutyl urea 41.64
    diisobutyl methanol 8.54
    2-phenylethanol 40.06
    styrene 14.82
    dioctyl adipate 31.82
    dimethyl sulfate 140.97
    ethyl butyrate 34.05
    methyl lactate 76.9
    butyl lactate 40.72
    diethyl carbonate 27.62
    propanediol butyl ether 72.77
    triethyl orthoformate 27.34
    p-tert-butyltoluene 6.26
    methyl 4-tert-butylbenzoate 57.9
    morpholine 193.44
    tert-butylamine 37.23
    n-dodecanol 11.73
    dimethoxymethane 199.87
    ethylene carbonate 91.67
    cyrene 111.66
    2-ethoxyethyl acetate 45.32
    2-ethylhexyl acetate 28.78
    1,2,4-trichlorobenzene 43.27
    4-methylpyridine 118.89
    dibutyl ether 19.63
    2,6-dimethyl-4-heptanol 8.54
    DEF 140.36
    dimethyl isosorbide 107.27
    tetrachloroethylene 83.41
    eugenol 54.75
    triacetin 60.73
    span 80 52.25
    1,4-butanediol 69.72
    1,1-dichloroethane 89.87
    2-methyl-1-pentanol 53.66
    methyl formate 212.52
    2-methyl-1-butanol 60.88
    n-decane 1.7
    butyronitrile 69.96
    3,7-dimethyl-1-octanol 23.28
    1-chlorooctane 10.25
    1-chlorotetradecane 3.69
    n-nonane 1.49
    undecane 1.23
    tert-butylcyclohexane 1.65
    cyclooctane 0.53
    cyclopentanol 88.92
    tetrahydropyran 88.94
    tert-amyl methyl ether 42.61
    2,5,8-trioxanonane 106.35
    1-hexene 11.62
    2-isopropoxyethanol 104.96
    2,2,2-trifluoroethanol 124.85
    methyl butyrate 81.5

    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