Methyl Nicotinate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    93-60-7

    Molecular formula
    C7H7NO2

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

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1779.0

  • Odor profile

    Herbal 64.19%
    Sweet 62.24%
    Fruity 52.62%
    Floral 43.06%
    Tobacco 42.55%
    Nutty 37.16%
    Anisic 36.98%
    Cherry 36.68%
    Almond 32.56%
    Spicy 31.95%

    Scent© AI

  • Properties

    XLogP3-AA
    0.8

    Molecular weight
    137.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • 38-43
    • 38 °C

    Boiling point

    • 209 undefined
    • 209.00 °C. @ 760.00 mm Hg

    Flash point est.
    93.67 ˚C

    Solubility expt.

    • Soluble
    • 47.6 mg/mL at 20 °C
    • Soluble in fat; Slightly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • METHYL NICOTINATE
    • 93-60-7
    • methyl pyridine-3-carboxylate
    • Nikomet
    • Methylnicotinate
    • Nicotinic acid methyl ester
    • Methyl-nicotinate
    • Nicometh
    • Methyl 3-pyridinecarboxylate
    • 3-(Methoxycarbonyl)pyridine
    • 3-Pyridinecarboxylic acid, methyl ester
    • Heat spray
    • Nicotinic acid, methyl ester
    • 3-(Carbomethoxy)pyridine
    • 3-Picolinic acid methyl ester
    • m-(Methoxycarbonyl)pyridine
    • FEMA No. 3709
    • 3PyrCOOMe
    • Methyl nicotinate [USAN]
    • Heat spray (TN)
    • NSC 13126
    • UNII-7B1AVU9DJN
    • 7B1AVU9DJN
    • Methyl nicotinate (USAN)
    • EINECS 202-261-8
    • NSC-13126
    • 3-Pyridinecarboxylic acid methyl ester
    • BRN 0113951
    • 3-Carbomethoxypyridine
    • DTXSID7044471
    • AI3-19241
    • MFCD00006388
    • Methyl ester of pyridine-3-carboxylic acid
    • METHYL NICOTINATE [MI]
    • DTXCID5024471
    • METHYL NICOTINATE [FHFI]
    • FEMA 3709
    • METHYL NICOTINATE [VANDF]
    • METHYL NICOTINATE [MART.]
    • METHYL NICOTINATE [WHO-DD]
    • 5-22-02-00059 (Beilstein Handbook Reference)
    • METHYL NICOTINATE [EP MONOGRAPH]
    • NCGC00159479-02
    • WLN: T6NJ CVO1
    • pyridine, 3-methoxycarbonyl-
    • METHYL NICOTINATE (MART.)
    • CAS-93-60-7
    • METHYL NICOTINATE (EP MONOGRAPH)
    • Vitathone
    • methyl nicotinoate
    • nicotinato de metila
    • nicotinato de metilo
    • nicotinato di metile
    • nicotinate de methyle
    • Methyl nicotinic acid
    • Methyl nicotinate, 99%
    • methylpyridine-3-carboxylate
    • Methyl nicotinate (Standard)
    • SCHEMBL24566
    • CHEMBL379845
    • METHYL NICOTINATE [INCI]
    • HY-B1695R
    • CHEBI:134761
    • Methyl nicotinate, >=99%, FG
    • HMS1775A18
    • CS-D1355
    • HY-B1695
    • NSC13126
    • Tox21_111702
    • Tox21_302038
    • NSC403799
    • s6231
    • STK803258
    • Methyl nicotinate, analytical standard
    • AKOS000119439
    • Tox21_111702_1
    • DB13882
    • FM31605
    • GS-3032
    • NSC-403799
    • pyridine-3-carboxylic acid methyl ester
    • NCGC00159479-03
    • NCGC00159479-05
    • NCGC00255708-01
    • AC-22482
    • DB-031973
    • N0086
    • NS00013858
    • EN300-17782
    • Methyl nicotinate Methyl 3-pyridinecarboxylate
    • Methyl nicotinate, puriss., >=99.0% (GC)
    • D04991
    • D87532
    • SBI-0653919.0001
    • AC-907/25014170
    • SR-01000944497
    • Q3341206
    • SR-01000944497-1
    • BRD-K10132944-001-01-1
    • BRD-K10132944-001-02-9
    • METHYL NICOTINATE;METHYL 3-PYRIDINECARBOXYLATE
    • Z57036282
    • F0001-2240
    • Methyl nicotinate, European Pharmacopoeia (EP) Reference Standard
    • Methyl Nicotinate, Pharmaceutical Secondary Standard; Certified Reference Material
    • 202-261-8

  • Applications

    Methyl nicotinate (CAS 93-60-7) is an ester of nicotinic acid widely applied as a potent topical vasodilator; it is incorporated into ointments, massage gels, heat patches and creams to enhance peripheral blood flow, relieve muscular and joint pain, warm the skin and increase permeation of co-actives; clinically, it is used in erythema or nicotinic flush tests to assess microcirculation, diagnose peripheral vascular disorders and model inflammatory responses, and it serves as a reference compound in pharmacological and toxicological studies of niacin-induced flushing; in cosmetics it provides a warming, circulation-boosting effect that supports skin nourishment and cellulite treatments; furthermore, it functions as a versatile intermediate in organic synthesis, enabling the preparation of niacinamide derivatives, pyridone scaffolds and other bioactive pyridine-containing molecules which find use in pharmaceuticals, agrochemicals and functional materials.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 113.29
    methanol 166.55
    isopropanol 83.8
    water 8.64
    ethyl acetate 84.38
    n-propanol 87.68
    acetone 105.65
    n-butanol 81.13
    acetonitrile 153.87
    DMF 376.25
    toluene 106.8
    isobutanol 73.3
    1,4-dioxane 180.75
    methyl acetate 111.75
    THF 153.79
    2-butanone 107.75
    n-pentanol 78.09
    sec-butanol 78.63
    n-hexane 5.66
    ethylene glycol 85.25
    NMP 290.35
    cyclohexane 14.07
    DMSO 295.14
    n-butyl acetate 55.04
    n-octanol 45.19
    chloroform 317.62
    n-propyl acetate 65.21
    acetic acid 174.0
    dichloromethane 426.59
    cyclohexanone 141.25
    propylene glycol 44.97
    isopropyl acetate 45.73
    DMAc 305.17
    2-ethoxyethanol 154.8
    isopentanol 70.87
    n-heptane 11.05
    ethyl formate 129.03
    1,2-dichloroethane 205.24
    n-hexanol 65.38
    2-methoxyethanol 219.7
    isobutyl acetate 36.94
    tetrachloromethane 54.59
    n-pentyl acetate 44.19
    transcutol 215.65
    n-heptanol 45.62
    ethylbenzene 56.59
    MIBK 51.12
    2-propoxyethanol 114.7
    tert-butanol 115.35
    MTBE 68.8
    2-butoxyethanol 85.12
    propionic acid 104.57
    o-xylene 87.19
    formic acid 171.3
    diethyl ether 63.78
    m-xylene 72.98
    p-xylene 79.16
    chlorobenzene 124.38
    dimethyl carbonate 69.85
    n-octane 5.18
    formamide 247.08
    cyclopentanone 150.58
    2-pentanone 78.33
    anisole 109.1
    cyclopentyl methyl ether 81.89
    gamma-butyrolactone 191.07
    1-methoxy-2-propanol 125.8
    pyridine 230.12
    3-pentanone 68.35
    furfural 280.84
    n-dodecane 5.43
    diethylene glycol 130.8
    diisopropyl ether 20.45
    tert-amyl alcohol 101.54
    acetylacetone 81.91
    n-hexadecane 6.14
    acetophenone 115.77
    methyl propionate 94.81
    isopentyl acetate 49.77
    trichloroethylene 391.55
    n-nonanol 39.84
    cyclohexanol 81.26
    benzyl alcohol 117.79
    2-ethylhexanol 47.27
    isooctanol 39.38
    dipropyl ether 47.94
    1,2-dichlorobenzene 120.01
    ethyl lactate 55.28
    propylene carbonate 126.32
    n-methylformamide 234.76
    2-pentanol 51.08
    n-pentane 8.04
    1-propoxy-2-propanol 72.8
    1-methoxy-2-propyl acetate 56.18
    2-(2-methoxypropoxy) propanol 81.01
    mesitylene 46.01
    ε-caprolactone 119.92
    p-cymene 39.04
    epichlorohydrin 230.16
    1,1,1-trichloroethane 147.66
    2-aminoethanol 99.62
    morpholine-4-carbaldehyde 273.57
    sulfolane 237.15
    2,2,4-trimethylpentane 7.73
    2-methyltetrahydrofuran 123.68
    n-hexyl acetate 57.37
    isooctane 4.98
    2-(2-butoxyethoxy)ethanol 100.29
    sec-butyl acetate 39.21
    tert-butyl acetate 50.17
    decalin 10.59
    glycerin 99.6
    diglyme 196.53
    acrylic acid 127.2
    isopropyl myristate 26.96
    n-butyric acid 110.26
    acetyl acetate 58.46
    di(2-ethylhexyl) phthalate 38.02
    ethyl propionate 61.57
    nitromethane 237.19
    1,2-diethoxyethane 73.12
    benzonitrile 164.4
    trioctyl phosphate 27.21
    1-bromopropane 98.61
    gamma-valerolactone 197.3
    n-decanol 31.74
    triethyl phosphate 42.89
    4-methyl-2-pentanol 34.55
    propionitrile 137.13
    vinylene carbonate 162.46
    1,1,2-trichlorotrifluoroethane 215.55
    DMS 54.76
    cumene 41.92
    2-octanol 30.74
    2-hexanone 65.22
    octyl acetate 36.21
    limonene 46.74
    1,2-dimethoxyethane 212.86
    ethyl orthosilicate 39.33
    tributyl phosphate 30.13
    diacetone alcohol 79.89
    N,N-dimethylaniline 95.45
    acrylonitrile 210.19
    aniline 141.44
    1,3-propanediol 114.83
    bromobenzene 127.59
    dibromomethane 244.29
    1,1,2,2-tetrachloroethane 275.09
    2-methyl-cyclohexyl acetate 51.36
    tetrabutyl urea 48.48
    diisobutyl methanol 31.87
    2-phenylethanol 84.55
    styrene 71.94
    dioctyl adipate 44.83
    dimethyl sulfate 108.77
    ethyl butyrate 65.21
    methyl lactate 72.02
    butyl lactate 46.02
    diethyl carbonate 55.67
    propanediol butyl ether 70.52
    triethyl orthoformate 48.93
    p-tert-butyltoluene 34.6
    methyl 4-tert-butylbenzoate 84.05
    morpholine 200.8
    tert-butylamine 74.37
    n-dodecanol 26.1
    dimethoxymethane 161.54
    ethylene carbonate 112.76
    cyrene 103.23
    2-ethoxyethyl acetate 60.35
    2-ethylhexyl acetate 39.78
    1,2,4-trichlorobenzene 132.37
    4-methylpyridine 226.09
    dibutyl ether 40.18
    2,6-dimethyl-4-heptanol 31.87
    DEF 145.38
    dimethyl isosorbide 118.09
    tetrachloroethylene 195.19
    eugenol 89.18
    triacetin 63.69
    span 80 63.24
    1,4-butanediol 69.4
    1,1-dichloroethane 171.04
    2-methyl-1-pentanol 72.45
    methyl formate 189.05
    2-methyl-1-butanol 70.98
    n-decane 7.78
    butyronitrile 132.44
    3,7-dimethyl-1-octanol 42.62
    1-chlorooctane 30.78
    1-chlorotetradecane 14.33
    n-nonane 7.2
    undecane 6.35
    tert-butylcyclohexane 9.46
    cyclooctane 5.69
    cyclopentanol 88.39
    tetrahydropyran 115.53
    tert-amyl methyl ether 61.81
    2,5,8-trioxanonane 150.39
    1-hexene 24.97
    2-isopropoxyethanol 97.89
    2,2,2-trifluoroethanol 97.1
    methyl butyrate 90.01

    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
Coronilla emerus headspace Coronilla emerus L., fam. Leguminosae 0.1%
Chaenomeles speciosa (Flowering Quince) Chaenameles speciosa Nakai, fam. Rosaceae 0.27%
Soursop, fruit Annona muricata L., fam. Annonaceae 0.8%