N-Vanillyloctanamide

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  • Identifiers

    CAS number
    58493-47-3

    Molecular formula
    C16H25NO3

    SMILES
    CCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Spicy 39.78%
    Savory 39.0%
    Meaty 36.48%
    Odorless 35.85%
    Cooling 34.02%
    Herbal 31.43%
    Mint 24.3%
    Animal 23.88%
    Pungent 23.74%
    Burnt 23.44%

     

    Flavor
    Odorless 39.93%
    Herbal 37.18%
    Bland 34.99%
    Mild 32.88%
    Woody 22.61%
    Spicy 22.49%
    Warm 21.91%
    Faint 21.3%
    Lovage 20.87%
    Parsley 20.78%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    9.88 (weak base)

    Molecular weight
    279.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    443°C

    Flash point

    • 175.76 ˚C est.

  • Synonyms

    • N-VANILLYLOCTANAMIDE
    • 58493-47-3
    • N-Vanillyl octanamide
    • CW938J9KNR
    • Octanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-
    • Octanamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-
    • RefChem:1092136
    • DTXCID50129694
    • DTXSID90207203
    • caprylic acid vanillylamide
    • N-[(4-hydroxy-3-methoxyphenyl)methyl]octanamide
    • n-(4-hydroxy-3-methoxybenzyl)octanamide
    • N-((4-Hydroxy-3-methoxyphenyl)methyl)octanamide
    • N-[(4-Hydroxy-3-methoxyphenyl)methyl]octanamide (N-Vanillyloctanamide)
    • N-Vanillyl-Octanamide
    • UNII-CW938J9KNR
    • CHEMBL86443
    • orb1296848
    • SCHEMBL1155739
    • OCTANAMIDE, N-VANILLYL-
    • SCHEMBL29669968
    • CHEBI:173991
    • EBC-12038
    • MFCD01711180
    • NSC818740
    • AKOS028111783
    • FS-7311
    • NSC-818740
    • BRN 2944990
    • DB-255848
    • 3-13-00-02190 (Beilstein Handbook Reference)
    • EN300-18428278
    • N-((4-Hydroxy-3-methoxyphenyl)methyl)-Octanamide
    • N-[(4-hydroxy-3-methoxy-phenyl)methyl]octanamide
    • N-[(4-hydroxy-3-methoxyphenyl)-methyl]-octaylamide
    • N-[(4-Hydroxy-3-methoxyphenyl)methyl]octanamide, 9CI
    • Z373586942
    • N-[(4-Hydroxy-3-methoxyphenyl)methyl]-octanamide; N-Vanillyloctanamide
    • 58493-47-3

  • Applications

    N-Vanillyloctanamide (CAS 58493-47-3) is a vanillyl-derived amide used mainly as a fragrance-related intermediate and odorant, with potential as a fixative or scent precursor in perfumery and cosmetics; it may be employed as a specialty processing aid or additive in household products; in industrial manufacturing it serves as an intermediate for synthesis and as a modifier in polymer, coating, and ink formulations; it may also be explored in cleaning products and related applications under local regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 873.52
    methanol 2078.49
    isopropanol 313.62
    water 0.24
    ethyl acetate 726.08
    n-propanol 372.08
    acetone 1363.59
    n-butanol 236.7
    acetonitrile 374.18
    DMF 672.17
    toluene 35.64
    isobutanol 163.02
    1,4-dioxane 482.47
    methyl acetate 464.8
    THF 614.1
    2-butanone 443.88
    n-pentanol 125.28
    sec-butanol 160.01
    n-hexane 0.38
    ethylene glycol 97.06
    NMP 232.11
    cyclohexane 2.17
    DMSO 2198.57
    n-butyl acetate 155.34
    n-octanol 31.07
    chloroform 329.29
    n-propyl acetate 202.41
    acetic acid 770.78
    dichloromethane 461.86
    cyclohexanone 442.07
    propylene glycol 178.8
    isopropyl acetate 278.21
    DMAc 574.39
    2-ethoxyethanol 436.19
    isopentanol 159.39
    n-heptane 0.65
    ethyl formate 274.61
    1,2-dichloroethane 391.8
    n-hexanol 77.15
    2-methoxyethanol 1120.19
    isobutyl acetate 115.76
    tetrachloromethane 25.63
    n-pentyl acetate 88.21
    transcutol 884.61
    n-heptanol 38.14
    ethylbenzene 19.64
    MIBK 161.08
    2-propoxyethanol 263.61
    tert-butanol 381.8
    MTBE 206.98
    2-butoxyethanol 133.43
    propionic acid 303.37
    o-xylene 29.75
    formic acid 302.5
    diethyl ether 123.43
    m-xylene 30.4
    p-xylene 29.06
    chlorobenzene 85.01
    dimethyl carbonate 124.93
    n-octane 0.89
    formamide 600.24
    cyclopentanone 566.23
    2-pentanone 376.2
    anisole 81.63
    cyclopentyl methyl ether 135.54
    gamma-butyrolactone 592.78
    1-methoxy-2-propanol 488.45
    pyridine 223.34
    3-pentanone 171.52
    furfural 389.62
    n-dodecane 1.51
    diethylene glycol 290.47
    diisopropyl ether 23.11
    tert-amyl alcohol 206.19
    acetylacetone 569.04
    n-hexadecane 1.7
    acetophenone 112.34
    methyl propionate 338.0
    isopentyl acetate 139.98
    trichloroethylene 577.48
    n-nonanol 31.29
    cyclohexanol 129.41
    benzyl alcohol 108.16
    2-ethylhexanol 35.81
    isooctanol 34.28
    dipropyl ether 26.17
    1,2-dichlorobenzene 85.82
    ethyl lactate 92.1
    propylene carbonate 261.51
    n-methylformamide 457.38
    2-pentanol 87.48
    n-pentane 0.36
    1-propoxy-2-propanol 146.76
    1-methoxy-2-propyl acetate 186.8
    2-(2-methoxypropoxy) propanol 123.68
    mesitylene 19.53
    ε-caprolactone 336.6
    p-cymene 16.11
    epichlorohydrin 640.93
    1,1,1-trichloroethane 191.26
    2-aminoethanol 268.74
    morpholine-4-carbaldehyde 349.62
    sulfolane 616.37
    2,2,4-trimethylpentane 1.99
    2-methyltetrahydrofuran 242.07
    n-hexyl acetate 97.28
    isooctane 1.51
    2-(2-butoxyethoxy)ethanol 191.58
    sec-butyl acetate 118.96
    tert-butyl acetate 249.68
    decalin 2.66
    glycerin 244.75
    diglyme 401.07
    acrylic acid 223.04
    isopropyl myristate 33.86
    n-butyric acid 533.43
    acetyl acetate 303.52
    di(2-ethylhexyl) phthalate 45.12
    ethyl propionate 143.19
    nitromethane 1465.53
    1,2-diethoxyethane 182.35
    benzonitrile 108.43
    trioctyl phosphate 30.92
    1-bromopropane 72.74
    gamma-valerolactone 710.1
    n-decanol 23.98
    triethyl phosphate 48.28
    4-methyl-2-pentanol 50.5
    propionitrile 153.94
    vinylene carbonate 216.41
    1,1,2-trichlorotrifluoroethane 396.91
    DMS 116.66
    cumene 16.68
    2-octanol 24.37
    2-hexanone 145.69
    octyl acetate 45.15
    limonene 21.87
    1,2-dimethoxyethane 483.45
    ethyl orthosilicate 45.29
    tributyl phosphate 40.28
    diacetone alcohol 293.86
    N,N-dimethylaniline 49.73
    acrylonitrile 241.0
    aniline 98.33
    1,3-propanediol 479.6
    bromobenzene 74.5
    dibromomethane 198.48
    1,1,2,2-tetrachloroethane 433.86
    2-methyl-cyclohexyl acetate 71.01
    tetrabutyl urea 52.31
    diisobutyl methanol 25.97
    2-phenylethanol 85.63
    styrene 26.81
    dioctyl adipate 62.7
    dimethyl sulfate 206.83
    ethyl butyrate 96.01
    methyl lactate 155.75
    butyl lactate 89.8
    diethyl carbonate 72.23
    propanediol butyl ether 131.89
    triethyl orthoformate 62.97
    p-tert-butyltoluene 16.37
    methyl 4-tert-butylbenzoate 100.55
    morpholine 593.11
    tert-butylamine 86.61
    n-dodecanol 18.74
    dimethoxymethane 470.52
    ethylene carbonate 205.87
    cyrene 123.81
    2-ethoxyethyl acetate 184.45
    2-ethylhexyl acetate 86.18
    1,2,4-trichlorobenzene 103.96
    4-methylpyridine 175.52
    dibutyl ether 36.97
    2,6-dimethyl-4-heptanol 25.97
    DEF 278.5
    dimethyl isosorbide 197.67
    tetrachloroethylene 244.18
    eugenol 106.63
    triacetin 135.87
    span 80 97.05
    1,4-butanediol 131.18
    1,1-dichloroethane 257.12
    2-methyl-1-pentanol 100.16
    methyl formate 346.25
    2-methyl-1-butanol 124.48
    n-decane 2.11
    butyronitrile 167.96
    3,7-dimethyl-1-octanol 38.2
    1-chlorooctane 15.81
    1-chlorotetradecane 7.0
    n-nonane 1.55
    undecane 1.72
    tert-butylcyclohexane 2.6
    cyclooctane 0.72
    cyclopentanol 134.4
    tetrahydropyran 274.66
    tert-amyl methyl ether 98.04
    2,5,8-trioxanonane 245.94
    1-hexene 5.07
    2-isopropoxyethanol 226.71
    2,2,2-trifluoroethanol 191.43
    methyl butyrate 217.02

    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