Methyl 1-vinylnicotinate

Overview IFRA Botanical Request a quote

  • Identifiers

    SMILES
    COC(=O)C1=CC=CN(C1)C=C

  • Odor profile

    Green 42.74%
    Nutty 37.13%
    Pungent 31.69%
    Roasted 28.54%
    Spicy 27.19%
    Sweet 25.49%
    Burnt 24.39%
    Caramellic 21.81%
    Popcorn 21.7%
    Herbal 21.25%

    Scent© AI

  • Properties

    pKa est.
    5.67 (weak acid)

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    227°C

    Flash point est.
    121.05 ˚C

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 34.19
    methanol 54.8
    isopropanol 20.82
    water 1.09
    ethyl acetate 42.02
    n-propanol 25.65
    acetone 37.46
    n-butanol 23.75
    acetonitrile 40.12
    DMF 110.49
    toluene 45.48
    isobutanol 20.73
    1,4-dioxane 84.35
    methyl acetate 46.84
    THF 76.53
    2-butanone 43.15
    n-pentanol 20.72
    sec-butanol 20.14
    n-hexane 0.7
    ethylene glycol 20.14
    NMP 111.9
    cyclohexane 3.0
    DMSO 91.96
    n-butyl acetate 23.51
    n-octanol 9.36
    chloroform 149.7
    n-propyl acetate 25.29
    acetic acid 88.32
    dichloromethane 156.21
    cyclohexanone 72.16
    propylene glycol 13.89
    isopropyl acetate 22.87
    DMAc 138.92
    2-ethoxyethanol 45.38
    isopentanol 24.93
    n-heptane 1.01
    ethyl formate 43.5
    1,2-dichloroethane 79.31
    n-hexanol 21.22
    2-methoxyethanol 73.98
    isobutyl acetate 17.24
    tetrachloromethane 16.98
    n-pentyl acetate 13.66
    transcutol 121.7
    n-heptanol 11.79
    ethylbenzene 17.21
    MIBK 22.82
    2-propoxyethanol 45.31
    tert-butanol 35.9
    MTBE 19.9
    2-butoxyethanol 29.76
    propionic acid 41.09
    o-xylene 31.72
    formic acid 62.36
    diethyl ether 18.61
    m-xylene 28.94
    p-xylene 23.91
    chlorobenzene 53.41
    dimethyl carbonate 27.28
    n-octane 0.56
    formamide 77.58
    cyclopentanone 75.36
    2-pentanone 28.01
    anisole 39.1
    cyclopentyl methyl ether 32.22
    gamma-butyrolactone 92.97
    1-methoxy-2-propanol 43.65
    pyridine 108.53
    3-pentanone 27.61
    furfural 126.63
    n-dodecane 0.77
    diethylene glycol 53.07
    diisopropyl ether 6.47
    tert-amyl alcohol 27.95
    acetylacetone 39.76
    n-hexadecane 0.92
    acetophenone 45.59
    methyl propionate 39.46
    isopentyl acetate 24.28
    trichloroethylene 189.41
    n-nonanol 9.49
    cyclohexanol 28.82
    benzyl alcohol 45.74
    2-ethylhexanol 15.53
    isooctanol 10.98
    dipropyl ether 11.21
    1,2-dichlorobenzene 48.49
    ethyl lactate 21.3
    propylene carbonate 59.53
    n-methylformamide 61.24
    2-pentanol 13.12
    n-pentane 1.03
    1-propoxy-2-propanol 26.8
    1-methoxy-2-propyl acetate 32.04
    2-(2-methoxypropoxy) propanol 37.48
    mesitylene 16.01
    ε-caprolactone 58.4
    p-cymene 11.8
    epichlorohydrin 113.3
    1,1,1-trichloroethane 60.09
    2-aminoethanol 28.84
    morpholine-4-carbaldehyde 105.11
    sulfolane 107.31
    2,2,4-trimethylpentane 1.69
    2-methyltetrahydrofuran 55.0
    n-hexyl acetate 20.23
    isooctane 1.15
    2-(2-butoxyethoxy)ethanol 43.06
    sec-butyl acetate 18.35
    tert-butyl acetate 24.73
    decalin 2.69
    glycerin 34.3
    diglyme 77.12
    acrylic acid 48.94
    isopropyl myristate 10.14
    n-butyric acid 50.27
    acetyl acetate 36.71
    di(2-ethylhexyl) phthalate 18.69
    ethyl propionate 25.63
    nitromethane 101.72
    1,2-diethoxyethane 26.78
    benzonitrile 50.13
    trioctyl phosphate 10.43
    1-bromopropane 29.68
    gamma-valerolactone 96.88
    n-decanol 7.67
    triethyl phosphate 18.48
    4-methyl-2-pentanol 11.7
    propionitrile 37.79
    vinylene carbonate 69.37
    1,1,2-trichlorotrifluoroethane 98.51
    DMS 29.07
    cumene 13.22
    2-octanol 6.46
    2-hexanone 22.42
    octyl acetate 12.92
    limonene 15.07
    1,2-dimethoxyethane 65.35
    ethyl orthosilicate 16.9
    tributyl phosphate 12.5
    diacetone alcohol 34.73
    N,N-dimethylaniline 31.82
    acrylonitrile 57.8
    aniline 59.38
    1,3-propanediol 37.26
    bromobenzene 51.48
    dibromomethane 82.67
    1,1,2,2-tetrachloroethane 126.19
    2-methyl-cyclohexyl acetate 26.06
    tetrabutyl urea 19.05
    diisobutyl methanol 10.0
    2-phenylethanol 37.07
    styrene 22.03
    dioctyl adipate 19.45
    dimethyl sulfate 46.26
    ethyl butyrate 23.82
    methyl lactate 30.77
    butyl lactate 16.75
    diethyl carbonate 21.37
    propanediol butyl ether 24.53
    triethyl orthoformate 19.86
    p-tert-butyltoluene 10.85
    methyl 4-tert-butylbenzoate 33.61
    morpholine 79.94
    tert-butylamine 18.55
    n-dodecanol 6.23
    dimethoxymethane 53.75
    ethylene carbonate 49.88
    cyrene 51.87
    2-ethoxyethyl acetate 25.27
    2-ethylhexyl acetate 19.35
    1,2,4-trichlorobenzene 60.94
    4-methylpyridine 83.15
    dibutyl ether 9.1
    2,6-dimethyl-4-heptanol 10.0
    DEF 47.44
    dimethyl isosorbide 63.32
    tetrachloroethylene 84.97
    eugenol 37.84
    triacetin 30.53
    span 80 26.89
    1,4-butanediol 16.85
    1,1-dichloroethane 62.31
    2-methyl-1-pentanol 24.03
    methyl formate 54.52
    2-methyl-1-butanol 22.98
    n-decane 1.02
    butyronitrile 35.92
    3,7-dimethyl-1-octanol 12.63
    1-chlorooctane 5.66
    1-chlorotetradecane 3.14
    n-nonane 0.78
    undecane 0.88
    tert-butylcyclohexane 2.35
    cyclooctane 1.12
    cyclopentanol 30.03
    tetrahydropyran 48.48
    tert-amyl methyl ether 19.19
    2,5,8-trioxanonane 64.41
    1-hexene 4.21
    2-isopropoxyethanol 30.92
    2,2,2-trifluoroethanol 42.75
    methyl butyrate 32.04

    Scent© AI

1 3

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

Botanical

Name CAS Botanical Proportion
Jasmine azoricum concrete Jasminum azoricum L., fam. Oleaceae 0.2%
Jasmine sambac (France) concrete Jasminum sambac (L.) Aiton, fam. Oleaceae 0.2%