Butyl 2-thenoate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    56053-84-0

    Molecular formula
    C9H12O2S

    SMILES
    CCCCOC(=O)C1=CC=CS1

    Safety labels

  • Odor profile

    Fragrance
    Fruity 56.55%
    Caramellic 46.86%
    Roasted 38.51%
    Nutty 35.39%
    Floral 35.23%
    Coffee 34.67%
    Burnt 30.21%
    Woody 26.69%
    Sweet 26.36%
    Herbal 25.05%

     

    Flavor
    Fruity 76.98%
    Sweet 40.8%
    Pineapple 38.24%
    Berry 33.29%
    Grape 29.39%
    Floral 29.13%
    Mushroom 27.74%
    Wine 26.88%
    Earthy 26.71%
    Balsam 26.67%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    6.17 (neutral)

    Molecular weight
    184.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    251°C

    Flash point

    • 99.92 ˚C est.

  • Synonyms

    • Butyl 2-thenoate
    • butyl thiophene-2-carboxylate
    • 56053-84-0
    • Thiophene-2-carboxylic acid butyl ester
    • EINECS 259-970-0
    • 2-Thiophenecarboxylic acid, butyl ester
    • SCHEMBL128695
    • SCHEMBL130061
    • Butyl 2-thiophenecarboxylate #
    • SCHEMBL7756390
    • SCHEMBL9499276
    • DTXSID00204607
    • NS00054568
    • 56053-84-0

  • Applications

    Butyl 2-thenoate (CAS 56053-84-0) is primarily encountered as an odorant and fragrance ingredient in perfumery and cosmetics, contributing fruity or floral notes. It may be employed in household products such as air fresheners and cleaners to add fragrance. In industrial manufacturing, the compound is often evaluated as an intermediate or processing solvent in organic synthesis and formulation work. It can serve as a fragrance additive in coatings, inks, and adhesives formulations, where permitted by regulations. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1027.46
    methanol 902.42
    isopropanol 696.92
    water 0.32
    ethyl acetate 893.98
    n-propanol 722.29
    acetone 1964.69
    n-butanol 789.63
    acetonitrile 903.14
    DMF 3266.85
    toluene 446.59
    isobutanol 609.91
    1,4-dioxane 1206.19
    methyl acetate 901.28
    THF 1630.67
    2-butanone 1340.72
    n-pentanol 591.92
    sec-butanol 694.46
    n-hexane 34.59
    ethylene glycol 128.02
    NMP 1710.13
    cyclohexane 91.67
    DMSO 1637.83
    n-butyl acetate 785.35
    n-octanol 253.7
    chloroform 2362.45
    n-propyl acetate 715.73
    acetic acid 1351.27
    dichloromethane 2166.64
    cyclohexanone 1902.13
    propylene glycol 256.24
    isopropyl acetate 565.28
    DMAc 1845.31
    2-ethoxyethanol 707.25
    isopentanol 701.02
    n-heptane 20.92
    ethyl formate 596.94
    1,2-dichloroethane 1753.63
    n-hexanol 502.69
    2-methoxyethanol 1177.21
    isobutyl acetate 444.21
    tetrachloromethane 158.6
    n-pentyl acetate 403.66
    transcutol 2304.47
    n-heptanol 216.76
    ethylbenzene 249.33
    MIBK 583.06
    2-propoxyethanol 749.26
    tert-butanol 762.15
    MTBE 649.9
    2-butoxyethanol 415.76
    propionic acid 662.54
    o-xylene 245.48
    formic acid 283.08
    diethyl ether 627.24
    m-xylene 263.27
    p-xylene 353.72
    chlorobenzene 957.52
    dimethyl carbonate 297.22
    n-octane 14.09
    formamide 541.92
    cyclopentanone 1745.35
    2-pentanone 1072.64
    anisole 625.26
    cyclopentyl methyl ether 678.6
    gamma-butyrolactone 1530.94
    1-methoxy-2-propanol 892.95
    pyridine 1680.18
    3-pentanone 690.22
    furfural 1484.27
    n-dodecane 16.98
    diethylene glycol 544.19
    diisopropyl ether 159.92
    tert-amyl alcohol 646.2
    acetylacetone 1025.05
    n-hexadecane 20.31
    acetophenone 675.31
    methyl propionate 695.29
    isopentyl acetate 642.74
    trichloroethylene 3378.51
    n-nonanol 214.29
    cyclohexanol 719.92
    benzyl alcohol 594.56
    2-ethylhexanol 276.06
    isooctanol 191.81
    dipropyl ether 226.51
    1,2-dichlorobenzene 764.87
    ethyl lactate 272.16
    propylene carbonate 874.14
    n-methylformamide 922.31
    2-pentanol 511.31
    n-pentane 31.72
    1-propoxy-2-propanol 507.47
    1-methoxy-2-propyl acetate 555.58
    2-(2-methoxypropoxy) propanol 419.18
    mesitylene 152.21
    ε-caprolactone 1272.4
    p-cymene 125.0
    epichlorohydrin 1932.1
    1,1,1-trichloroethane 1181.16
    2-aminoethanol 354.05
    morpholine-4-carbaldehyde 1531.45
    sulfolane 1512.44
    2,2,4-trimethylpentane 31.26
    2-methyltetrahydrofuran 1162.3
    n-hexyl acetate 577.28
    isooctane 24.79
    2-(2-butoxyethoxy)ethanol 644.56
    sec-butyl acetate 424.36
    tert-butyl acetate 571.4
    decalin 51.97
    glycerin 317.89
    diglyme 1131.46
    acrylic acid 659.71
    isopropyl myristate 187.29
    n-butyric acid 1055.63
    acetyl acetate 495.94
    di(2-ethylhexyl) phthalate 188.56
    ethyl propionate 461.5
    nitromethane 1912.79
    1,2-diethoxyethane 632.51
    benzonitrile 872.73
    trioctyl phosphate 133.65
    1-bromopropane 753.16
    gamma-valerolactone 1959.31
    n-decanol 152.1
    triethyl phosphate 169.59
    4-methyl-2-pentanol 283.3
    propionitrile 731.57
    vinylene carbonate 906.02
    1,1,2-trichlorotrifluoroethane 1210.25
    DMS 430.67
    cumene 159.08
    2-octanol 181.6
    2-hexanone 840.34
    octyl acetate 246.52
    limonene 193.14
    1,2-dimethoxyethane 1252.82
    ethyl orthosilicate 156.72
    tributyl phosphate 176.33
    diacetone alcohol 657.24
    N,N-dimethylaniline 369.33
    acrylonitrile 1016.22
    aniline 655.09
    1,3-propanediol 585.25
    bromobenzene 957.65
    dibromomethane 1384.26
    1,1,2,2-tetrachloroethane 2451.94
    2-methyl-cyclohexyl acetate 323.72
    tetrabutyl urea 250.7
    diisobutyl methanol 157.71
    2-phenylethanol 457.33
    styrene 396.29
    dioctyl adipate 270.05
    dimethyl sulfate 464.7
    ethyl butyrate 400.48
    methyl lactate 345.99
    butyl lactate 328.31
    diethyl carbonate 265.73
    propanediol butyl ether 520.47
    triethyl orthoformate 246.13
    p-tert-butyltoluene 119.52
    methyl 4-tert-butylbenzoate 346.18
    morpholine 1586.23
    tert-butylamine 445.1
    n-dodecanol 114.41
    dimethoxymethane 912.97
    ethylene carbonate 697.35
    cyrene 431.27
    2-ethoxyethyl acetate 541.82
    2-ethylhexyl acetate 463.43
    1,2,4-trichlorobenzene 906.54
    4-methylpyridine 1701.41
    dibutyl ether 307.12
    2,6-dimethyl-4-heptanol 157.71
    DEF 1293.69
    dimethyl isosorbide 611.7
    tetrachloroethylene 1311.75
    eugenol 430.01
    triacetin 450.27
    span 80 389.49
    1,4-butanediol 258.72
    1,1-dichloroethane 1601.74
    2-methyl-1-pentanol 542.15
    methyl formate 668.6
    2-methyl-1-butanol 657.61
    n-decane 26.34
    butyronitrile 887.76
    3,7-dimethyl-1-octanol 257.64
    1-chlorooctane 169.37
    1-chlorotetradecane 67.14
    n-nonane 23.1
    undecane 20.55
    tert-butylcyclohexane 45.82
    cyclooctane 21.43
    cyclopentanol 663.54
    tetrahydropyran 1287.22
    tert-amyl methyl ether 438.87
    2,5,8-trioxanonane 717.63
    1-hexene 259.44
    2-isopropoxyethanol 494.39
    2,2,2-trifluoroethanol 324.88
    methyl butyrate 752.87

    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