Hydroxyethyl pantothenamide monoethanolamide

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  • Identifiers

    CAS number
    380383-15-3

    Molecular formula
    C13H26N2O6

    SMILES
    CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCOCCO)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 53.7%
    Savory 37.7%
    Cooling 33.28%
    Fishy 27.75%
    Sweet 24.32%
    Meaty 23.95%
    Alcoholic 22.91%
    Mint 20.02%
    Milky 19.43%
    Oily 15.46%

     

    Flavor
    Odorless 56.3%
    Bitter 29.97%
    Bland 28.32%
    Sweet-like 27.15%
    Very mild 26.04%
    Mild 25.36%
    Yeast 20.4%
    Very slight 20.04%
    Pulpy 18.89%
    Acetoin 18.86%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -2.2

    pKa est.
    6.76 (neutral)

    Molecular weight
    306.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    723°C

    Flash point

    • 259.85 ˚C est.

  • Synonyms

    • Hydroxyethyl pantothenamide monoethanolamide
    • Hydroxyethyl pantothenamide MEA
    • N-Hydroxyethoxyethyl pantothenamide
    • UNII-473IW11MN3
    • N-D-Pantothenoyl-2-(2-aminoethoxy)ethanol
    • 473IW11MN3
    • 380383-15-3
    • Butanamide, 2,4-dihydroxy-N-(3-((2-(2-hydroxyethoxy)ethyl)amino)-3-oxopropyl)-3,3-dimethyl-, (2R)-
    • DTXSID90191456
    • Q27259002
    • (2R)-2,4-Dihydroxy-N-(3-{[2-(2-hydroxyethoxy)ethyl]amino}-3-oxopropyl)-3,3-dimethylbutanamide
    • 380383-15-3

  • Applications

    Hydroxyethyl pantothenamide monoethanolamide (CAS 380383-15-3) is primarily encountered as an intermediate in pharmaceutical research, notably in the synthesis and exploration of pantothenamide derivatives and related CoA-biosynthesis inhibitors. It is used as a building block or coupling partner in medicinal chemistry to assemble pantothenamide compounds and related inhibitors. In research and development settings, it supports enzyme inhibition studies focused on the CoA biosynthesis pathway, aiding structure–activity relationship (SAR) exploration. The compound may serve as a multi-step intermediate in drug-development programs and can be evaluated as a specialty intermediate in synthetic workflows.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 34.9
    methanol 235.47
    isopropanol 8.78
    water 524.6
    ethyl acetate 1.96
    n-propanol 20.6
    acetone 4.46
    n-butanol 11.83
    acetonitrile 2.17
    DMF 369.36
    toluene 0.65
    isobutanol 9.48
    1,4-dioxane 10.71
    methyl acetate 2.24
    THF 16.13
    2-butanone 4.12
    n-pentanol 5.58
    sec-butanol 9.62
    n-hexane 0.24
    ethylene glycol 164.52
    NMP 251.74
    cyclohexane 0.73
    DMSO 634.97
    n-butyl acetate 0.75
    n-octanol 2.82
    chloroform 2.52
    n-propyl acetate 1.27
    acetic acid 147.87
    dichloromethane 3.04
    cyclohexanone 15.7
    propylene glycol 123.5
    isopropyl acetate 1.32
    DMAc 237.17
    2-ethoxyethanol 55.37
    isopentanol 6.06
    n-heptane 0.32
    ethyl formate 6.6
    1,2-dichloroethane 2.61
    n-hexanol 3.57
    2-methoxyethanol 171.44
    isobutyl acetate 0.82
    tetrachloromethane 0.97
    n-pentyl acetate 1.31
    transcutol 52.37
    n-heptanol 3.66
    ethylbenzene 0.52
    MIBK 2.55
    2-propoxyethanol 19.75
    tert-butanol 9.81
    MTBE 1.81
    2-butoxyethanol 14.28
    propionic acid 29.02
    o-xylene 1.17
    formic acid 911.36
    diethyl ether 1.59
    m-xylene 0.8
    p-xylene 0.68
    chlorobenzene 0.55
    dimethyl carbonate 6.31
    n-octane 0.24
    formamide 559.63
    cyclopentanone 21.07
    2-pentanone 3.57
    anisole 1.5
    cyclopentyl methyl ether 5.8
    gamma-butyrolactone 29.6
    1-methoxy-2-propanol 59.6
    pyridine 5.93
    3-pentanone 3.51
    furfural 35.13
    n-dodecane 0.13
    diethylene glycol 57.42
    diisopropyl ether 0.51
    tert-amyl alcohol 11.05
    acetylacetone 6.64
    n-hexadecane 0.14
    acetophenone 3.91
    methyl propionate 5.39
    isopentyl acetate 0.98
    trichloroethylene 4.77
    n-nonanol 2.63
    cyclohexanol 13.09
    benzyl alcohol 6.09
    2-ethylhexanol 1.6
    isooctanol 2.57
    dipropyl ether 1.34
    1,2-dichlorobenzene 0.88
    ethyl lactate 7.58
    propylene carbonate 9.77
    n-methylformamide 144.81
    2-pentanol 3.94
    n-pentane 0.32
    1-propoxy-2-propanol 8.94
    1-methoxy-2-propyl acetate 3.77
    2-(2-methoxypropoxy) propanol 14.12
    mesitylene 0.67
    ε-caprolactone 15.18
    p-cymene 0.59
    epichlorohydrin 14.25
    1,1,1-trichloroethane 0.99
    2-aminoethanol 172.41
    morpholine-4-carbaldehyde 133.01
    sulfolane 123.3
    2,2,4-trimethylpentane 0.25
    2-methyltetrahydrofuran 6.4
    n-hexyl acetate 2.29
    isooctane 0.1
    2-(2-butoxyethoxy)ethanol 19.08
    sec-butyl acetate 0.86
    tert-butyl acetate 2.09
    decalin 0.23
    glycerin 312.53
    diglyme 34.05
    acrylic acid 48.98
    isopropyl myristate 0.8
    n-butyric acid 21.05
    acetyl acetate 2.01
    di(2-ethylhexyl) phthalate 2.56
    ethyl propionate 1.6
    nitromethane 71.38
    1,2-diethoxyethane 2.83
    benzonitrile 2.07
    trioctyl phosphate 1.98
    1-bromopropane 1.0
    gamma-valerolactone 62.4
    n-decanol 1.75
    triethyl phosphate 2.08
    4-methyl-2-pentanol 2.13
    propionitrile 2.12
    vinylene carbonate 10.28
    1,1,2-trichlorotrifluoroethane 73.34
    DMS 2.93
    cumene 0.51
    2-octanol 1.81
    2-hexanone 1.81
    octyl acetate 1.31
    limonene 1.09
    1,2-dimethoxyethane 28.11
    ethyl orthosilicate 1.86
    tributyl phosphate 1.91
    diacetone alcohol 14.04
    N,N-dimethylaniline 2.76
    acrylonitrile 4.74
    aniline 3.24
    1,3-propanediol 122.19
    bromobenzene 0.37
    dibromomethane 1.55
    1,1,2,2-tetrachloroethane 5.49
    2-methyl-cyclohexyl acetate 1.88
    tetrabutyl urea 3.75
    diisobutyl methanol 1.06
    2-phenylethanol 3.29
    styrene 0.46
    dioctyl adipate 2.03
    dimethyl sulfate 28.65
    ethyl butyrate 1.16
    methyl lactate 29.44
    butyl lactate 5.27
    diethyl carbonate 0.91
    propanediol butyl ether 23.39
    triethyl orthoformate 1.78
    p-tert-butyltoluene 0.6
    methyl 4-tert-butylbenzoate 7.15
    morpholine 28.02
    tert-butylamine 2.79
    n-dodecanol 1.22
    dimethoxymethane 33.93
    ethylene carbonate 6.53
    cyrene 35.83
    2-ethoxyethyl acetate 2.77
    2-ethylhexyl acetate 0.77
    1,2,4-trichlorobenzene 1.47
    4-methylpyridine 3.56
    dibutyl ether 1.04
    2,6-dimethyl-4-heptanol 1.06
    DEF 21.19
    dimethyl isosorbide 18.0
    tetrachloroethylene 5.31
    eugenol 9.16
    triacetin 5.71
    span 80 12.32
    1,4-butanediol 43.55
    1,1-dichloroethane 0.9
    2-methyl-1-pentanol 4.09
    methyl formate 59.87
    2-methyl-1-butanol 8.49
    n-decane 0.26
    butyronitrile 1.92
    3,7-dimethyl-1-octanol 1.95
    1-chlorooctane 0.68
    1-chlorotetradecane 0.27
    n-nonane 0.26
    undecane 0.17
    tert-butylcyclohexane 0.16
    cyclooctane 0.33
    cyclopentanol 18.29
    tetrahydropyran 5.3
    tert-amyl methyl ether 2.95
    2,5,8-trioxanonane 25.79
    1-hexene 0.53
    2-isopropoxyethanol 16.62
    2,2,2-trifluoroethanol 84.16
    methyl butyrate 2.95

    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