2-Ethylthiophene

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  • Identifiers

    CAS number
    872-55-9

    Molecular formula
    C6H8S

    SMILES
    CCC1=CC=CS1

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Green 66.69%
    Sulfurous 49.59%
    Roasted 46.86%
    Alliaceous 45.15%
    Burnt 44.33%
    Onion 42.43%
    Coffee 35.3%
    Pungent 34.35%
    Vegetable 33.54%
    Nutty 33.15%

    Scent© AI

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    7.44 (neutral)

    Molecular weight
    112.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 133.00 °C. @ 760.00 mm Hg

    Flash point est.
    18.77 ˚C

    Solubility expt.

    • 0.292 mg/mL at 25 °C

  • Synonyms

    • 2-ETHYLTHIOPHENE
    • 872-55-9
    • Thiophene, 2-ethyl-
    • o-Ethylthiophene
    • 2-ethyl-thiophene
    • MFCD00005461
    • ETHYLTHIOPHENE
    • EINECS 212-830-2
    • E5616Q8745
    • DTXSID90862452
    • UNII-E5616Q8745
    • 2-Ethylthiophene, 97%
    • SCHEMBL91161
    • DTXCID40811213
    • 2-Ethylthiophene; 2-ethylthiophene
    • 2-Ethylthiophene, analytical standard
    • AKOS005257557
    • CS-W013654
    • FE34625
    • AC-16553
    • SY048489
    • DB-056989
    • E0380
    • NS00042593
    • EN300-21167
    • D90498
    • Q27276886
    • F0001-2170
    • 212-830-2

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 219.61
    methanol 180.3
    isopropanol 135.07
    water 0.21
    ethyl acetate 436.52
    n-propanol 181.09
    acetone 361.79
    n-butanol 210.49
    acetonitrile 243.49
    DMF 283.26
    toluene 419.23
    isobutanol 124.04
    1,4-dioxane 903.23
    methyl acetate 317.18
    THF 927.66
    2-butanone 379.88
    n-pentanol 179.72
    sec-butanol 148.74
    n-hexane 88.94
    ethylene glycol 26.99
    NMP 432.9
    cyclohexane 157.91
    DMSO 342.19
    n-butyl acetate 626.68
    n-octanol 130.78
    chloroform 1041.74
    n-propyl acetate 309.61
    acetic acid 175.5
    dichloromethane 927.87
    cyclohexanone 689.62
    propylene glycol 35.79
    isopropyl acetate 275.95
    DMAc 273.89
    2-ethoxyethanol 235.86
    isopentanol 178.36
    n-heptane 137.18
    ethyl formate 211.48
    1,2-dichloroethane 585.51
    n-hexanol 309.22
    2-methoxyethanol 281.1
    isobutyl acetate 217.81
    tetrachloromethane 258.29
    n-pentyl acetate 264.73
    transcutol 1033.29
    n-heptanol 130.76
    ethylbenzene 147.47
    MIBK 244.52
    2-propoxyethanol 436.28
    tert-butanol 184.87
    MTBE 315.83
    2-butoxyethanol 213.72
    propionic acid 145.29
    o-xylene 186.96
    formic acid 42.97
    diethyl ether 583.61
    m-xylene 225.22
    p-xylene 171.44
    chlorobenzene 467.9
    dimethyl carbonate 106.89
    n-octane 43.21
    formamide 77.1
    cyclopentanone 585.76
    2-pentanone 373.03
    anisole 335.05
    cyclopentyl methyl ether 486.31
    gamma-butyrolactone 511.86
    1-methoxy-2-propanol 213.28
    pyridine 742.42
    3-pentanone 308.28
    furfural 571.94
    n-dodecane 29.5
    diethylene glycol 197.35
    diisopropyl ether 178.79
    tert-amyl alcohol 172.36
    acetylacetone 414.4
    n-hexadecane 34.79
    acetophenone 267.01
    methyl propionate 251.01
    isopentyl acetate 457.37
    trichloroethylene 998.48
    n-nonanol 134.91
    cyclohexanol 215.08
    benzyl alcohol 186.32
    2-ethylhexanol 236.57
    isooctanol 117.1
    dipropyl ether 475.05
    1,2-dichlorobenzene 385.12
    ethyl lactate 86.51
    propylene carbonate 304.35
    n-methylformamide 136.49
    2-pentanol 152.23
    n-pentane 85.72
    1-propoxy-2-propanol 356.76
    1-methoxy-2-propyl acetate 449.93
    2-(2-methoxypropoxy) propanol 272.79
    mesitylene 154.21
    ε-caprolactone 523.72
    p-cymene 155.11
    epichlorohydrin 682.56
    1,1,1-trichloroethane 646.43
    2-aminoethanol 61.69
    morpholine-4-carbaldehyde 589.71
    sulfolane 518.64
    2,2,4-trimethylpentane 47.05
    2-methyltetrahydrofuran 693.6
    n-hexyl acetate 310.21
    isooctane 45.37
    2-(2-butoxyethoxy)ethanol 359.2
    sec-butyl acetate 212.45
    tert-butyl acetate 336.03
    decalin 76.71
    glycerin 56.89
    diglyme 671.27
    acrylic acid 112.9
    isopropyl myristate 168.58
    n-butyric acid 264.72
    acetyl acetate 288.21
    di(2-ethylhexyl) phthalate 131.67
    ethyl propionate 234.41
    nitromethane 305.04
    1,2-diethoxyethane 679.7
    benzonitrile 334.04
    trioctyl phosphate 92.6
    1-bromopropane 432.5
    gamma-valerolactone 730.78
    n-decanol 107.67
    triethyl phosphate 150.56
    4-methyl-2-pentanol 104.44
    propionitrile 224.33
    vinylene carbonate 307.35
    1,1,2-trichlorotrifluoroethane 320.93
    DMS 220.43
    cumene 108.35
    2-octanol 94.24
    2-hexanone 332.27
    octyl acetate 186.26
    limonene 253.23
    1,2-dimethoxyethane 514.32
    ethyl orthosilicate 158.65
    tributyl phosphate 123.02
    diacetone alcohol 247.8
    N,N-dimethylaniline 207.0
    acrylonitrile 221.95
    aniline 294.68
    1,3-propanediol 115.94
    bromobenzene 560.33
    dibromomethane 668.08
    1,1,2,2-tetrachloroethane 677.49
    2-methyl-cyclohexyl acetate 278.07
    tetrabutyl urea 159.51
    diisobutyl methanol 153.46
    2-phenylethanol 280.62
    styrene 232.44
    dioctyl adipate 201.91
    dimethyl sulfate 147.46
    ethyl butyrate 395.83
    methyl lactate 85.03
    butyl lactate 136.7
    diethyl carbonate 222.94
    propanediol butyl ether 135.21
    triethyl orthoformate 269.4
    p-tert-butyltoluene 152.74
    methyl 4-tert-butylbenzoate 223.45
    morpholine 738.55
    tert-butylamine 149.35
    n-dodecanol 88.57
    dimethoxymethane 334.07
    ethylene carbonate 269.48
    cyrene 229.13
    2-ethoxyethyl acetate 378.57
    2-ethylhexyl acetate 417.19
    1,2,4-trichlorobenzene 437.75
    4-methylpyridine 635.98
    dibutyl ether 304.02
    2,6-dimethyl-4-heptanol 153.46
    DEF 363.52
    dimethyl isosorbide 533.35
    tetrachloroethylene 483.44
    eugenol 226.95
    triacetin 255.98
    span 80 244.28
    1,4-butanediol 54.76
    1,1-dichloroethane 554.92
    2-methyl-1-pentanol 171.42
    methyl formate 108.58
    2-methyl-1-butanol 161.18
    n-decane 47.5
    butyronitrile 305.31
    3,7-dimethyl-1-octanol 161.28
    1-chlorooctane 152.7
    1-chlorotetradecane 73.33
    n-nonane 47.59
    undecane 36.05
    tert-butylcyclohexane 66.8
    cyclooctane 73.53
    cyclopentanol 187.98
    tetrahydropyran 795.72
    tert-amyl methyl ether 251.63
    2,5,8-trioxanonane 531.9
    1-hexene 230.03
    2-isopropoxyethanol 197.48
    2,2,2-trifluoroethanol 60.88
    methyl butyrate 284.37

    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