2-Butoxyethyl 3-pyridinecarboxylate

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  • Identifiers

    CAS number
    13912-80-6

    Molecular formula
    C12H17NO3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 48.66%
    Sweet 47.16%
    Herbal 45.35%
    Floral 39.04%
    Caramellic 37.02%
    Balsamic 29.6%
    Nutty 28.59%
    Green 27.24%
    Earthy 26.95%
    Winey 24.95%

     

    Flavor
    Fruity 55.95%
    Floral 31.45%
    Sweet 29.12%
    Balsam 28.07%
    Musty 27.98%
    Wine 27.4%
    Mushroom 27.08%
    Oily 26.51%
    Waxy 25.37%
    Earthy 25.18%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    5.12 (weak acid)

    Molecular weight
    223.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    336°C

    Flash point

    • 150.39 ˚C est.

  • Synonyms

    • Nicoboxil
    • 13912-80-6
    • beta-Butoxyethyl nicotinate
    • 2-butoxyethyl pyridine-3-carboxylate
    • Nicoboxilo
    • 2-Butoxyethyl nicotinate
    • Nicoboxilum
    • GSD5B9US0W
    • DTXSID4057635
    • 2-Butoxyethyl 3-pyridinecarboxylate
    • DTXCID5031424
    • RefChem:854090
    • 237-684-7
    • BUTOXYETHYL NICOTINATE
    • 1322-29-8
    • Nicoboxil [INN]
    • 3-Pyridinecarboxylic acid, 2-butoxyethyl ester
    • Nicoboxil (INN)
    • beta-Butoxyethyl nicotinate (JAN)
    • BETA-BUTOXYETHYL NICOTINATE [JAN]
    • SR-01000945168
    • Nicoboxilum [INN-Latin]
    • UNII-GSD5B9US0W
    • Nicoboxilo [INN-Spanish]
    • Butoxyethyl 3-pyridinecarboxylate
    • Nicotinsaeure-beta-butoxyethylester
    • EINECS 237-684-7
    • 3-Pyridinecarboxylic acid, butoxyethyl ester
    • NICOBOXIL [MART.]
    • NICOBOXIL [WHO-DD]
    • SCHEMBL288321
    • CHEMBL2105161
    • SCHEMBL29475326
    • CHEBI:32322
    • Tox21_113682
    • .BETA.-BUTOXYETHYL NICOTINATE
    • EBC-13552
    • AKOS030543403
    • DB12911
    • NCGC00249906-01
    • CAS-13912-80-6
    • DB-254119
    • DB-409365
    • NS00008756
    • D01677
    • EN300-6479791
    • 912N806
    • SR-01000945168-1
    • SR-01000945168-2
    • Q27114872
    • Z743362616
    • 1322-29-8

  • Applications

    2-Butoxyethyl 3-pyridinecarboxylate (CAS 13912-80-6) is used primarily as an organic solvent and co-solvent in industrial manufacturing, including coatings, inks, and cleaning formulations. It also serves as an intermediate in the synthesis of pyridine-containing specialty chemicals, with potential routes toward pharmaceutical or agrochemical products. As a processing aid in polymers and adhesives, it can influence viscosity and resin compatibility, and may act as a plasticizer or flexibilizing agent in certain formulations. In electronics and photoresist formulations, it is evaluated as a solvent carrier or formulation component. In household cleaning products, it may be used as a solvent or co-solvent within regulated limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 491.88
    methanol 914.47
    isopropanol 204.11
    water 1.31
    ethyl acetate 590.32
    n-propanol 309.89
    acetone 800.74
    n-butanol 261.89
    acetonitrile 735.78
    DMF 932.66
    toluene 256.63
    isobutanol 216.22
    1,4-dioxane 361.06
    methyl acetate 451.92
    THF 433.9
    2-butanone 516.07
    n-pentanol 169.1
    sec-butanol 198.26
    n-hexane 5.92
    ethylene glycol 144.09
    NMP 791.96
    cyclohexane 22.07
    DMSO 2096.05
    n-butyl acetate 266.62
    n-octanol 37.07
    chloroform 1689.08
    n-propyl acetate 273.61
    acetic acid 1117.85
    dichloromethane 2530.44
    cyclohexanone 770.63
    propylene glycol 133.33
    isopropyl acetate 237.8
    DMAc 826.56
    2-ethoxyethanol 389.19
    isopentanol 215.33
    n-heptane 4.62
    ethyl formate 382.44
    1,2-dichloroethane 1704.75
    n-hexanol 113.94
    2-methoxyethanol 704.04
    isobutyl acetate 143.84
    tetrachloromethane 127.08
    n-pentyl acetate 112.77
    transcutol 1133.69
    n-heptanol 45.12
    ethylbenzene 87.11
    MIBK 182.92
    2-propoxyethanol 249.0
    tert-butanol 259.11
    MTBE 166.61
    2-butoxyethanol 143.78
    propionic acid 451.67
    o-xylene 151.73
    formic acid 500.57
    diethyl ether 182.81
    m-xylene 149.87
    p-xylene 120.68
    chlorobenzene 437.4
    dimethyl carbonate 184.33
    n-octane 2.27
    formamide 893.73
    cyclopentanone 734.84
    2-pentanone 372.46
    anisole 192.73
    cyclopentyl methyl ether 259.57
    gamma-butyrolactone 920.92
    1-methoxy-2-propanol 363.13
    pyridine 743.69
    3-pentanone 285.45
    furfural 904.8
    n-dodecane 2.48
    diethylene glycol 277.26
    diisopropyl ether 40.88
    tert-amyl alcohol 237.51
    acetylacetone 481.62
    n-hexadecane 2.97
    acetophenone 259.75
    methyl propionate 402.99
    isopentyl acetate 205.93
    trichloroethylene 2878.77
    n-nonanol 34.08
    cyclohexanol 280.28
    benzyl alcohol 248.51
    2-ethylhexanol 71.91
    isooctanol 42.23
    dipropyl ether 60.43
    1,2-dichlorobenzene 395.35
    ethyl lactate 134.45
    propylene carbonate 483.49
    n-methylformamide 648.12
    2-pentanol 135.02
    n-pentane 6.64
    1-propoxy-2-propanol 163.31
    1-methoxy-2-propyl acetate 231.27
    2-(2-methoxypropoxy) propanol 162.5
    mesitylene 74.43
    ε-caprolactone 550.57
    p-cymene 50.74
    epichlorohydrin 1254.92
    1,1,1-trichloroethane 789.03
    2-aminoethanol 257.8
    morpholine-4-carbaldehyde 569.3
    sulfolane 1132.23
    2,2,4-trimethylpentane 8.6
    2-methyltetrahydrofuran 357.41
    n-hexyl acetate 134.73
    isooctane 5.13
    2-(2-butoxyethoxy)ethanol 223.67
    sec-butyl acetate 155.48
    tert-butyl acetate 201.13
    decalin 13.07
    glycerin 228.12
    diglyme 471.14
    acrylic acid 484.87
    isopropyl myristate 44.07
    n-butyric acid 630.35
    acetyl acetate 371.86
    di(2-ethylhexyl) phthalate 71.21
    ethyl propionate 222.84
    nitromethane 1777.83
    1,2-diethoxyethane 208.42
    benzonitrile 355.84
    trioctyl phosphate 42.51
    1-bromopropane 473.7
    gamma-valerolactone 835.14
    n-decanol 25.51
    triethyl phosphate 88.7
    4-methyl-2-pentanol 69.48
    propionitrile 419.21
    vinylene carbonate 463.99
    1,1,2-trichlorotrifluoroethane 903.27
    DMS 181.13
    cumene 55.55
    2-octanol 27.19
    2-hexanone 217.69
    octyl acetate 58.27
    limonene 75.54
    1,2-dimethoxyethane 434.58
    ethyl orthosilicate 77.61
    tributyl phosphate 65.21
    diacetone alcohol 251.2
    N,N-dimethylaniline 127.45
    acrylonitrile 700.11
    aniline 382.68
    1,3-propanediol 345.97
    bromobenzene 481.1
    dibromomethane 1388.12
    1,1,2,2-tetrachloroethane 1791.81
    2-methyl-cyclohexyl acetate 133.11
    tetrabutyl urea 91.88
    diisobutyl methanol 43.33
    2-phenylethanol 175.01
    styrene 134.62
    dioctyl adipate 93.4
    dimethyl sulfate 332.96
    ethyl butyrate 180.72
    methyl lactate 208.16
    butyl lactate 119.9
    diethyl carbonate 135.25
    propanediol butyl ether 135.96
    triethyl orthoformate 102.83
    p-tert-butyltoluene 41.89
    methyl 4-tert-butylbenzoate 153.08
    morpholine 506.97
    tert-butylamine 124.41
    n-dodecanol 20.37
    dimethoxymethane 361.93
    ethylene carbonate 369.48
    cyrene 200.25
    2-ethoxyethyl acetate 194.82
    2-ethylhexyl acetate 145.84
    1,2,4-trichlorobenzene 469.89
    4-methylpyridine 643.9
    dibutyl ether 53.68
    2,6-dimethyl-4-heptanol 43.33
    DEF 498.13
    dimethyl isosorbide 276.54
    tetrachloroethylene 1011.7
    eugenol 165.03
    triacetin 171.99
    span 80 123.98
    1,4-butanediol 144.03
    1,1-dichloroethane 1068.38
    2-methyl-1-pentanol 174.69
    methyl formate 444.64
    2-methyl-1-butanol 225.43
    n-decane 3.64
    butyronitrile 398.44
    3,7-dimethyl-1-octanol 53.59
    1-chlorooctane 29.72
    1-chlorotetradecane 11.66
    n-nonane 3.13
    undecane 2.9
    tert-butylcyclohexane 9.4
    cyclooctane 5.83
    cyclopentanol 234.18
    tetrahydropyran 338.33
    tert-amyl methyl ether 132.6
    2,5,8-trioxanonane 298.22
    1-hexene 44.93
    2-isopropoxyethanol 220.6
    2,2,2-trifluoroethanol 364.41
    methyl butyrate 343.12

    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