Ethyl Nicotinate

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  • Identifiers

    CAS number
    614-18-6

    Molecular formula
    C8H9NO2

    SMILES
    CCOC(=O)C1=CN=CC=C1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fruity 82.78%
    Floral 75.34%
    Herbal 61.63%
    Sweet 55.14%
    Cherry 38.76%
    Tobacco 38.11%
    Anisic 34.72%
    Berry 33.89%
    Grape 32.21%
    Spicy 30.02%

    Scent© AI

  • Properties

    XLogP3-AA
    1.3

    Molecular weight
    151.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    246°C

    Flash point est.
    100.16 ˚C

  • Synonyms

    • Ethyl nicotinate
    • 614-18-6
    • ethyl pyridine-3-carboxylate
    • Ethylnicotinate
    • 3-Pyridinecarboxylic acid, ethyl ester
    • Nicotinic acid ethyl ester
    • Ignicut
    • Ethyl 3-pyridinecarboxylate
    • Nicotinic acid, ethyl ester
    • Mucotherm
    • Nicaethan
    • Nikethan
    • Nikithan
    • 3-Picolinic acid ethyl ester
    • Ignocut
    • 3-Carbethoxypyridine
    • Ethyl-nicotinate
    • 3-Pyridinecarboxylic Acid Ethyl Ester
    • 3-(Ethoxycarbonyl)pyridine
    • Ethyl nicotinoate
    • Nicotinic acid,ethyl ester
    • Ba 2673
    • UNII-NIJ3H353YH
    • 123574-71-0
    • DTXSID9046526
    • NSC 8872
    • NSC-8872
    • Nicotine acid ethyl ester
    • EINECS 210-370-7
    • MFCD00006389
    • Nicotinic acid-ethyl ester
    • ethyl 3-pyridine carboxylate
    • NIJ3H353YH
    • AI3-02579
    • DTXCID7026526
    • ETHYL NICOTINATE [MART.]
    • ETHYL NICOTINATE [WHO-DD]
    • NCGC00166056-01
    • .beta.-Pyridinecarboxylic acid ethyl ester
    • 3-PYRIDINECARBOXYLIC ACID,ETHYL ESTER
    • ETHYL NICOTINATE (MART.)
    • CAS-614-18-6
    • 3Carbethoxypyridine
    • Mucotherm (TN)
    • 3-carboethoxypyridine
    • beta-Pyridinecarboxylic acid ethyl ester
    • 3-ethoxycarbonylpyridine
    • Ethyl nicotinate, 99%
    • 3(Ethoxycarbonyl)pyridine
    • Ethyl 3pyridinecarboxylate
    • pyridine, 3-ethoxycarbonyl-
    • SCHEMBL24853
    • ETHYL NICOTINATE [INCI]
    • CHEMBL2251611
    • NSC8872
    • CHEBI:192166
    • BCP30661
    • Tox21_112299
    • Ethyl nicotinate, analytical standard
    • 3Pyridinecarboxylic acid, ethyl ester
    • AKOS000119658
    • betaPyridinecarboxylic acid ethyl ester
    • pyridine-3-carboxylic acid ethyl ester
    • Tox21_112299_1
    • AB00748
    • CS-W014344
    • FE01306
    • FS-3453
    • NCGC00166056-02
    • AC-22480
    • DB-004042
    • N0085
    • NS00012438
    • EN300-20116
    • D08274
    • Ethyl 3-pyridinecarboxylate;Nicotinic acid ethyl ester
    • Q16948611
    • F0001-1619
    • Z104476924
    • 210-370-7
    • Nicotinic acid ethyl ester pound>>3-carboethoxypyridine pound>>Ethyl 3-pyridinecarboxylate pound>>3-Picolinic acid ethyl ester

  • Applications

    Ethyl Nicotinate (CAS 614-18-6) is the ethyl ester of nicotinic acid, used primarily as a topical vasodilator/rubefacient in external preparations (massage creams and gels, sports liniments, warming patches, muscle-care products) to produce a warming sensation and a sense of muscular comfort; in cosmetics and personal care it is employed at low levels as a warming, microcirculation‑sensory agent that may aid percutaneous uptake of co-actives; it is also used in dermato‑pharmacology research as a model compound to provoke skin vasodilation for microcirculation measurements (e.g., laser Doppler), and in organic synthesis as an intermediate for preparing niacin derivatives for pharmaceuticals or agrochemicals; note that it can cause transient erythema/burning or irritation on sensitive skin, so formulations typically use low concentrations and advise avoiding mucous membranes.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 211.86
    methanol 328.65
    isopropanol 150.72
    water 2.63
    ethyl acetate 160.66
    n-propanol 162.08
    acetone 248.25
    n-butanol 155.97
    acetonitrile 228.64
    DMF 697.4
    toluene 107.47
    isobutanol 139.28
    1,4-dioxane 254.41
    methyl acetate 169.39
    THF 278.5
    2-butanone 182.03
    n-pentanol 143.17
    sec-butanol 137.75
    n-hexane 10.02
    ethylene glycol 113.12
    NMP 595.51
    cyclohexane 19.99
    DMSO 518.95
    n-butyl acetate 131.06
    n-octanol 79.47
    chloroform 698.32
    n-propyl acetate 121.5
    acetic acid 475.02
    dichloromethane 775.32
    cyclohexanone 317.91
    propylene glycol 91.56
    isopropyl acetate 88.4
    DMAc 561.64
    2-ethoxyethanol 203.75
    isopentanol 139.76
    n-heptane 9.23
    ethyl formate 182.35
    1,2-dichloroethane 406.83
    n-hexanol 115.03
    2-methoxyethanol 346.04
    isobutyl acetate 74.63
    tetrachloromethane 65.78
    n-pentyl acetate 88.54
    transcutol 430.35
    n-heptanol 66.32
    ethylbenzene 76.43
    MIBK 97.24
    2-propoxyethanol 187.2
    tert-butanol 185.9
    MTBE 116.92
    2-butoxyethanol 122.06
    propionic acid 231.36
    o-xylene 96.42
    formic acid 212.67
    diethyl ether 106.61
    m-xylene 87.99
    p-xylene 105.59
    chlorobenzene 233.76
    dimethyl carbonate 114.47
    n-octane 5.59
    formamide 271.76
    cyclopentanone 335.63
    2-pentanone 141.29
    anisole 157.27
    cyclopentyl methyl ether 141.43
    gamma-butyrolactone 429.28
    1-methoxy-2-propanol 213.37
    pyridine 342.98
    3-pentanone 117.31
    furfural 509.1
    n-dodecane 7.55
    diethylene glycol 197.64
    diisopropyl ether 33.47
    tert-amyl alcohol 163.86
    acetylacetone 170.03
    n-hexadecane 8.55
    acetophenone 179.57
    methyl propionate 164.76
    isopentyl acetate 110.39
    trichloroethylene 859.43
    n-nonanol 66.5
    cyclohexanol 162.31
    benzyl alcohol 169.89
    2-ethylhexanol 78.33
    isooctanol 56.66
    dipropyl ether 61.93
    1,2-dichlorobenzene 220.68
    ethyl lactate 94.96
    propylene carbonate 273.56
    n-methylformamide 349.58
    2-pentanol 93.83
    n-pentane 10.39
    1-propoxy-2-propanol 123.84
    1-methoxy-2-propyl acetate 121.38
    2-(2-methoxypropoxy) propanol 131.29
    mesitylene 58.85
    ε-caprolactone 261.68
    p-cymene 49.29
    epichlorohydrin 427.39
    1,1,1-trichloroethane 274.16
    2-aminoethanol 157.36
    morpholine-4-carbaldehyde 436.28
    sulfolane 576.0
    2,2,4-trimethylpentane 12.21
    2-methyltetrahydrofuran 199.74
    n-hexyl acetate 136.21
    isooctane 8.23
    2-(2-butoxyethoxy)ethanol 163.81
    sec-butyl acetate 75.44
    tert-butyl acetate 101.52
    decalin 18.02
    glycerin 173.38
    diglyme 295.39
    acrylic acid 279.21
    isopropyl myristate 52.27
    n-butyric acid 254.53
    acetyl acetate 119.65
    di(2-ethylhexyl) phthalate 69.52
    ethyl propionate 110.93
    nitromethane 512.93
    1,2-diethoxyethane 118.13
    benzonitrile 254.19
    trioctyl phosphate 51.34
    1-bromopropane 181.1
    gamma-valerolactone 397.61
    n-decanol 50.4
    triethyl phosphate 65.95
    4-methyl-2-pentanol 60.82
    propionitrile 208.89
    vinylene carbonate 313.34
    1,1,2-trichlorotrifluoroethane 406.23
    DMS 121.8
    cumene 56.49
    2-octanol 51.25
    2-hexanone 119.93
    octyl acetate 71.25
    limonene 67.01
    1,2-dimethoxyethane 288.6
    ethyl orthosilicate 60.57
    tributyl phosphate 61.58
    diacetone alcohol 140.42
    N,N-dimethylaniline 125.81
    acrylonitrile 333.02
    aniline 191.14
    1,3-propanediol 189.23
    bromobenzene 245.46
    dibromomethane 446.55
    1,1,2,2-tetrachloroethane 598.11
    2-methyl-cyclohexyl acetate 91.05
    tetrabutyl urea 87.46
    diisobutyl methanol 48.88
    2-phenylethanol 131.68
    styrene 109.15
    dioctyl adipate 83.75
    dimethyl sulfate 206.75
    ethyl butyrate 102.7
    methyl lactate 133.52
    butyl lactate 89.88
    diethyl carbonate 90.22
    propanediol butyl ether 130.8
    triethyl orthoformate 77.25
    p-tert-butyltoluene 45.1
    methyl 4-tert-butylbenzoate 131.02
    morpholine 287.09
    tert-butylamine 117.49
    n-dodecanol 40.5
    dimethoxymethane 236.28
    ethylene carbonate 221.36
    cyrene 153.02
    2-ethoxyethyl acetate 111.34
    2-ethylhexyl acetate 86.26
    1,2,4-trichlorobenzene 252.79
    4-methylpyridine 329.62
    dibutyl ether 70.97
    2,6-dimethyl-4-heptanol 48.88
    DEF 268.38
    dimethyl isosorbide 187.01
    tetrachloroethylene 372.8
    eugenol 149.18
    triacetin 124.68
    span 80 111.93
    1,4-butanediol 103.5
    1,1-dichloroethane 348.24
    2-methyl-1-pentanol 133.35
    methyl formate 271.38
    2-methyl-1-butanol 139.7
    n-decane 10.48
    butyronitrile 221.38
    3,7-dimethyl-1-octanol 72.47
    1-chlorooctane 52.57
    1-chlorotetradecane 23.43
    n-nonane 9.28
    undecane 8.71
    tert-butylcyclohexane 16.47
    cyclooctane 6.96
    cyclopentanol 161.9
    tetrahydropyran 191.13
    tert-amyl methyl ether 99.31
    2,5,8-trioxanonane 219.07
    1-hexene 51.16
    2-isopropoxyethanol 132.12
    2,2,2-trifluoroethanol 156.5
    methyl butyrate 159.13

    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

Botanical

Name CAS Botanical Proportion
Orris butter 8002-73-1 Iris florentina L., fam. Iridaceae 0.01%
Lawsonia inermis flower 1b Lawsonia inermis L. (syn. L. alba Lam.), fam. Lytraceae 1.2%