N-((1S,2R)-2-Hydroxy-1-(hydroxymethyl)heptadecyl)acetamide

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  • Identifiers

    CAS number
    13031-64-6

    Molecular formula
    C20H41NO3

    SMILES
    CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)C)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 36.62%
    Odorless 33.18%
    Oily 32.02%
    Fresh 30.64%
    Fatty 29.88%
    Savory 28.5%
    Woody 27.57%
    Citrus 26.95%
    Cooling 25.51%
    Mint 24.5%

     

    Flavor
    Odorless 35.65%
    Mild 35.61%
    Bland 35.38%
    Fatty 25.53%
    Faint 25.42%
    Waxy 24.37%
    Slightly waxy 22.34%
    Bay oil 21.44%
    Delicate 21.27%
    Beer 20.25%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.1

    pKa est.
    7.27 (neutral)

    Molecular weight
    343.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    470°C

    Flash point

    • 213.5 ˚C est.

  • Synonyms

    • 13031-64-6
    • N-Acetyl dihydrosphingosine
    • N-acetyldihydrosphingosine
    • dS-N-Acetylsphinganine
    • D-erythro-N-Acetylsphinganine
    • TIC-016
    • ZZK8X1CR0R
    • D-erythro-1,3-Dihydroxy-2-acetamidooctadecane
    • D-erythro-2-Acetamido-1,3-octadecanediol
    • Acetamide, N-((1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadecyl)-
    • DTXSID20156452
    • Acetamide, N-(2-hydroxy-1-(hydroxymethyl)heptadecyl)-, d-erythro-
    • Acetamide, N-(2-hydroxy-1-(hydroxymethyl)heptadecyl)-, (R-(R*,S*))-
    • N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadecyl]acetamide
    • N-((1S,2R)-2-Hydroxy-1-(hydroxymethyl)heptadecyl)acetamide
    • Acetamide, N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadecyl]-
    • RefChem:1090665
    • DTXCID1078943
    • C2 Dihydroceramide
    • N-acetylsphinganine
    • N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]acetamide
    • N-acetoyl-D-erythro-sphinganine
    • dihydro-C2-ceramide
    • 26561-61-5
    • UNII-ZZK8X1CR0R
    • C20H41NO3
    • Dihydroceramide C2
    • N-Acetyl dihydrosphingosine [INCI]
    • CBiol_002032
    • BSPBio_001567
    • KBioGR_000287
    • KBioSS_000287
    • BML3-C11
    • CHEMBL155886
    • orb2283832
    • SCHEMBL1479036
    • CHEBI:64913
    • KBio2_000287
    • KBio2_002855
    • KBio2_005423
    • KBio3_000573
    • KBio3_000574
    • Bio1_000318
    • Bio1_000807
    • Bio1_001296
    • Bio2_000287
    • Bio2_000767
    • C2-dihydro-Ceramide (N-acetyl-)
    • HMS1361O09
    • HMS1791O09
    • HMS1989O09
    • HMS3402O09
    • C2 dihydro Ceramide (d18:0/2:0)
    • CCG-208049
    • FC19607
    • HY-W590664
    • IDI1_034037
    • NCGC00161358-01
    • NCGC00161358-02
    • NCGC00161358-03
    • BP-28805
    • DB-231022
    • (2S,3R)-2-acetylaminooctadecane-1,3-diol
    • CS-0647276
    • D-erythro-2-acetamido-1,3-o ctadecanediol
    • Dihydroceramide C2, >=98% (TLC), solid
    • G91299
    • N-[(2s,3r)-1,3-dihydroxy-2-octadecanyl]acetamide
    • BRD-K62910157-001-01-9
    • Q27133532
    • Acetamide,N-[(1R,2S)-2-hydroxy-1-(hydroxymethyl)heptadecyl]-,rel-
    • Acetamide, N-[(1R,2S)-2-hydroxy-1-(hydroxymethyl)heptadecyl]-, rel-
    • C2 Dihydroceramide (d18:0/2:0), N-acetoyl-D-erythro-sphinganine, powder
    • 13031-64-6

  • Applications

    N-((1S,2R)-2-Hydroxy-1-(hydroxymethyl)heptadecyl)acetamide (CAS 13031-64-6) is a long-chain N-substituted acetamide typically used as a nonionic surfactant and emulsifier in cosmetics and personal care formulations, contributing to wetting, dispersion, and conditioning; it can act as a co-surfactant or processing aid in household cleaners and detergents; it serves as a surface-active additive or compatibilizer in polymer and plastics formulations and may improve coating performance in coatings and inks; and it may function as an intermediate or formulation excipient in pharmaceutical development, subject to regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 16.4
    methanol 39.46
    isopropanol 16.05
    water 0.17
    ethyl acetate 29.75
    n-propanol 19.67
    acetone 37.39
    n-butanol 19.49
    acetonitrile 10.59
    DMF 121.84
    toluene 11.05
    isobutanol 20.25
    1,4-dioxane 57.51
    methyl acetate 27.8
    THF 224.67
    2-butanone 41.81
    n-pentanol 20.61
    sec-butanol 20.77
    n-hexane 2.44
    ethylene glycol 3.95
    NMP 254.81
    cyclohexane 9.39
    DMSO 273.82
    n-butyl acetate 50.06
    n-octanol 23.94
    chloroform 99.39
    n-propyl acetate 59.33
    acetic acid 49.83
    dichloromethane 90.6
    cyclohexanone 181.3
    propylene glycol 11.73
    isopropyl acetate 39.45
    DMAc 233.77
    2-ethoxyethanol 61.11
    isopentanol 28.38
    n-heptane 2.7
    ethyl formate 30.31
    1,2-dichloroethane 70.1
    n-hexanol 18.67
    2-methoxyethanol 65.16
    isobutyl acetate 44.46
    tetrachloromethane 26.1
    n-pentyl acetate 79.94
    transcutol 236.77
    n-heptanol 24.76
    ethylbenzene 12.25
    MIBK 49.72
    2-propoxyethanol 57.69
    tert-butanol 38.97
    MTBE 33.38
    2-butoxyethanol 81.33
    propionic acid 35.43
    o-xylene 16.24
    formic acid 19.41
    diethyl ether 14.92
    m-xylene 11.89
    p-xylene 18.76
    chlorobenzene 25.94
    dimethyl carbonate 18.31
    n-octane 1.96
    formamide 30.71
    cyclopentanone 195.58
    2-pentanone 43.35
    anisole 28.56
    cyclopentyl methyl ether 75.1
    gamma-butyrolactone 187.74
    1-methoxy-2-propanol 62.2
    pyridine 51.27
    3-pentanone 37.3
    furfural 136.35
    n-dodecane 1.3
    diethylene glycol 34.6
    diisopropyl ether 9.8
    tert-amyl alcohol 40.5
    acetylacetone 75.12
    n-hexadecane 1.52
    acetophenone 53.46
    methyl propionate 33.31
    isopentyl acetate 58.84
    trichloroethylene 123.44
    n-nonanol 24.46
    cyclohexanol 50.0
    benzyl alcohol 29.09
    2-ethylhexanol 20.15
    isooctanol 26.04
    dipropyl ether 25.46
    1,2-dichlorobenzene 36.87
    ethyl lactate 38.3
    propylene carbonate 105.58
    n-methylformamide 39.93
    2-pentanol 15.73
    n-pentane 1.45
    1-propoxy-2-propanol 56.6
    1-methoxy-2-propyl acetate 62.77
    2-(2-methoxypropoxy) propanol 64.89
    mesitylene 10.9
    ε-caprolactone 158.37
    p-cymene 12.8
    epichlorohydrin 145.48
    1,1,1-trichloroethane 71.66
    2-aminoethanol 14.32
    morpholine-4-carbaldehyde 151.42
    sulfolane 415.89
    2,2,4-trimethylpentane 3.13
    2-methyltetrahydrofuran 106.53
    n-hexyl acetate 74.2
    isooctane 1.63
    2-(2-butoxyethoxy)ethanol 90.41
    sec-butyl acetate 43.47
    tert-butyl acetate 65.06
    decalin 5.54
    glycerin 26.48
    diglyme 196.75
    acrylic acid 28.81
    isopropyl myristate 22.05
    n-butyric acid 69.63
    acetyl acetate 29.94
    di(2-ethylhexyl) phthalate 29.21
    ethyl propionate 42.26
    nitromethane 80.16
    1,2-diethoxyethane 59.02
    benzonitrile 32.34
    trioctyl phosphate 22.42
    1-bromopropane 28.33
    gamma-valerolactone 259.29
    n-decanol 15.07
    triethyl phosphate 37.76
    4-methyl-2-pentanol 16.23
    propionitrile 14.68
    vinylene carbonate 76.71
    1,1,2-trichlorotrifluoroethane 153.02
    DMS 41.51
    cumene 11.95
    2-octanol 19.21
    2-hexanone 52.65
    octyl acetate 30.99
    limonene 20.72
    1,2-dimethoxyethane 128.9
    ethyl orthosilicate 37.73
    tributyl phosphate 29.04
    diacetone alcohol 89.22
    N,N-dimethylaniline 28.73
    acrylonitrile 18.33
    aniline 19.94
    1,3-propanediol 26.15
    bromobenzene 25.74
    dibromomethane 55.61
    1,1,2,2-tetrachloroethane 142.25
    2-methyl-cyclohexyl acetate 56.27
    tetrabutyl urea 43.92
    diisobutyl methanol 15.53
    2-phenylethanol 28.75
    styrene 13.03
    dioctyl adipate 46.3
    dimethyl sulfate 60.62
    ethyl butyrate 49.69
    methyl lactate 33.58
    butyl lactate 71.11
    diethyl carbonate 30.5
    propanediol butyl ether 69.25
    triethyl orthoformate 48.26
    p-tert-butyltoluene 12.64
    methyl 4-tert-butylbenzoate 72.84
    morpholine 93.1
    tert-butylamine 19.73
    n-dodecanol 10.07
    dimethoxymethane 48.3
    ethylene carbonate 69.0
    cyrene 88.46
    2-ethoxyethyl acetate 88.11
    2-ethylhexyl acetate 47.04
    1,2,4-trichlorobenzene 47.59
    4-methylpyridine 46.29
    dibutyl ether 32.61
    2,6-dimethyl-4-heptanol 15.53
    DEF 84.6
    dimethyl isosorbide 133.56
    tetrachloroethylene 98.46
    eugenol 66.63
    triacetin 90.3
    span 80 60.63
    1,4-butanediol 13.37
    1,1-dichloroethane 47.17
    2-methyl-1-pentanol 27.77
    methyl formate 29.89
    2-methyl-1-butanol 26.56
    n-decane 2.88
    butyronitrile 19.8
    3,7-dimethyl-1-octanol 23.91
    1-chlorooctane 17.02
    1-chlorotetradecane 4.75
    n-nonane 2.61
    undecane 1.81
    tert-butylcyclohexane 4.38
    cyclooctane 2.51
    cyclopentanol 59.2
    tetrahydropyran 78.94
    tert-amyl methyl ether 34.99
    2,5,8-trioxanonane 112.42
    1-hexene 8.45
    2-isopropoxyethanol 48.13
    2,2,2-trifluoroethanol 30.93
    methyl butyrate 75.52

    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