2-Pentanoylthiophene

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  • Identifiers

    CAS number
    53119-25-8

    Molecular formula
    C9H12OS

    SMILES
    CCCCC(=O)C1=CC=CS1

  • Odor profile

    Roasted 66.65%
    Nutty 50.33%
    Meaty 49.88%
    Caramellic 47.66%
    Burnt 33.7%
    Coffee 33.02%
    Savory 32.42%
    Cooked 32.21%
    Popcorn 27.2%
    Hazelnut 26.42%

    Scent© AI

  • Properties

    XLogP3-AA
    2.6

    Molecular weight
    168.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    248°C

    Flash point est.
    93.04 ˚C

  • Synonyms

    • 53119-25-8
    • 1-thien-2-ylpentan-1-one
    • 2-Pentanoylthiophene
    • 1-(thiophen-2-yl)pentan-1-one
    • 1-(2-thienyl)pentan-1-one
    • 2-valerylthiophene
    • 1-Pentanone, 1-(2-thienyl)-
    • 1-thiophen-2-ylpentan-1-one
    • Butyl 2-thienyl ketone
    • X71Z1K8RAY
    • Ethyl-3-oxo-3-(thiophene-2-yl)propanate
    • DTXSID10341577
    • 1-(thiophen-2-yl)-pentan-1-one
    • UNII-X71Z1K8RAY
    • MFCD00053149
    • 2-pentanoyl thiophene
    • SCHEMBL3176357
    • 1-(2-Thienyl)-1-pentanone #
    • DTXCID30292658
    • ALBB-006447
    • STK503926
    • AKOS000265296
    • LS-02269
    • NS00122864
    • H24080
    • Q27293621
    • 801-701-1

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 680.07
    methanol 763.71
    isopropanol 550.6
    water 0.58
    ethyl acetate 488.2
    n-propanol 538.85
    acetone 1069.64
    n-butanol 596.29
    acetonitrile 570.68
    DMF 2134.05
    toluene 469.53
    isobutanol 478.36
    1,4-dioxane 983.32
    methyl acetate 548.03
    THF 1017.77
    2-butanone 732.96
    n-pentanol 469.49
    sec-butanol 474.6
    n-hexane 52.91
    ethylene glycol 137.54
    NMP 1062.08
    cyclohexane 124.32
    DMSO 1109.56
    n-butyl acetate 586.32
    n-octanol 253.09
    chloroform 2099.85
    n-propyl acetate 449.93
    acetic acid 715.87
    dichloromethane 1599.78
    cyclohexanone 1192.89
    propylene glycol 208.28
    isopropyl acetate 344.24
    DMAc 1063.02
    2-ethoxyethanol 500.5
    isopentanol 537.91
    n-heptane 40.07
    ethyl formate 435.27
    1,2-dichloroethane 1093.23
    n-hexanol 501.15
    2-methoxyethanol 782.26
    isobutyl acetate 306.42
    tetrachloromethane 241.42
    n-pentyl acetate 312.76
    transcutol 1823.28
    n-heptanol 209.24
    ethylbenzene 243.75
    MIBK 367.21
    2-propoxyethanol 652.2
    tert-butanol 565.36
    MTBE 459.61
    2-butoxyethanol 365.95
    propionic acid 446.1
    o-xylene 229.8
    formic acid 160.75
    diethyl ether 427.5
    m-xylene 255.31
    p-xylene 307.9
    chlorobenzene 777.95
    dimethyl carbonate 194.7
    n-octane 24.54
    formamide 270.82
    cyclopentanone 991.01
    2-pentanone 590.55
    anisole 495.27
    cyclopentyl methyl ether 452.49
    gamma-butyrolactone 872.67
    1-methoxy-2-propanol 569.11
    pyridine 1249.84
    3-pentanone 409.42
    furfural 1035.67
    n-dodecane 25.08
    diethylene glycol 456.31
    diisopropyl ether 130.08
    tert-amyl alcohol 435.79
    acetylacetone 607.43
    n-hexadecane 29.56
    acetophenone 503.4
    methyl propionate 376.05
    isopentyl acetate 486.59
    trichloroethylene 2225.81
    n-nonanol 212.42
    cyclohexanol 543.18
    benzyl alcohol 496.25
    2-ethylhexanol 276.13
    isooctanol 178.53
    dipropyl ether 236.55
    1,2-dichlorobenzene 601.49
    ethyl lactate 200.68
    propylene carbonate 584.14
    n-methylformamide 580.02
    2-pentanol 361.58
    n-pentane 47.46
    1-propoxy-2-propanol 453.23
    1-methoxy-2-propyl acetate 427.09
    2-(2-methoxypropoxy) propanol 370.04
    mesitylene 160.34
    ε-caprolactone 825.47
    p-cymene 130.26
    epichlorohydrin 1108.91
    1,1,1-trichloroethane 966.08
    2-aminoethanol 299.01
    morpholine-4-carbaldehyde 1040.53
    sulfolane 923.44
    2,2,4-trimethylpentane 34.69
    2-methyltetrahydrofuran 736.58
    n-hexyl acetate 455.86
    isooctane 30.08
    2-(2-butoxyethoxy)ethanol 525.22
    sec-butyl acetate 290.01
    tert-butyl acetate 366.4
    decalin 66.09
    glycerin 281.33
    diglyme 974.22
    acrylic acid 440.01
    isopropyl myristate 168.29
    n-butyric acid 689.53
    acetyl acetate 331.55
    di(2-ethylhexyl) phthalate 176.05
    ethyl propionate 292.89
    nitromethane 939.91
    1,2-diethoxyethane 543.41
    benzonitrile 736.5
    trioctyl phosphate 118.3
    1-bromopropane 581.44
    gamma-valerolactone 1246.36
    n-decanol 152.86
    triethyl phosphate 148.29
    4-methyl-2-pentanol 214.44
    propionitrile 513.26
    vinylene carbonate 638.92
    1,1,2-trichlorotrifluoroethane 746.24
    DMS 319.86
    cumene 154.58
    2-octanol 176.14
    2-hexanone 515.85
    octyl acetate 211.45
    limonene 199.67
    1,2-dimethoxyethane 918.02
    ethyl orthosilicate 144.66
    tributyl phosphate 153.81
    diacetone alcohol 415.18
    N,N-dimethylaniline 314.96
    acrylonitrile 670.9
    aniline 554.67
    1,3-propanediol 436.5
    bromobenzene 828.87
    dibromomethane 1085.52
    1,1,2,2-tetrachloroethane 1612.79
    2-methyl-cyclohexyl acetate 267.04
    tetrabutyl urea 214.4
    diisobutyl methanol 158.39
    2-phenylethanol 402.99
    styrene 390.71
    dioctyl adipate 233.05
    dimethyl sulfate 290.37
    ethyl butyrate 329.67
    methyl lactate 224.41
    butyl lactate 275.22
    diethyl carbonate 228.99
    propanediol butyl ether 437.65
    triethyl orthoformate 222.21
    p-tert-butyltoluene 124.51
    methyl 4-tert-butylbenzoate 292.04
    morpholine 1101.16
    tert-butylamine 374.06
    n-dodecanol 117.79
    dimethoxymethane 583.79
    ethylene carbonate 507.95
    cyrene 339.73
    2-ethoxyethyl acetate 408.96
    2-ethylhexyl acetate 372.82
    1,2,4-trichlorobenzene 678.41
    4-methylpyridine 1292.94
    dibutyl ether 286.67
    2,6-dimethyl-4-heptanol 158.39
    DEF 714.17
    dimethyl isosorbide 497.74
    tetrachloroethylene 979.85
    eugenol 366.02
    triacetin 369.12
    span 80 333.76
    1,4-butanediol 228.5
    1,1-dichloroethane 1130.69
    2-methyl-1-pentanol 414.59
    methyl formate 466.5
    2-methyl-1-butanol 479.48
    n-decane 39.9
    butyronitrile 668.82
    3,7-dimethyl-1-octanol 238.75
    1-chlorooctane 183.81
    1-chlorotetradecane 76.94
    n-nonane 37.96
    undecane 30.49
    tert-butylcyclohexane 57.5
    cyclooctane 33.6
    cyclopentanol 473.67
    tetrahydropyran 944.93
    tert-amyl methyl ether 303.47
    2,5,8-trioxanonane 611.14
    1-hexene 274.15
    2-isopropoxyethanol 374.72
    2,2,2-trifluoroethanol 197.28
    methyl butyrate 482.84

    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