2,2':5',2''-Terthiophene, 5-methyl-

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  • Identifiers

    CAS number
    26905-73-7

    Molecular formula
    C13H10S3

    SMILES
    CC1=CC=C(S1)C2=CC=C(S2)C3=CC=CS3

  • Odor profile

    Sulfurous 70.09%
    Meaty 67.28%
    Roasted 57.83%
    Burnt 57.3%
    Coffee 52.0%
    Savory 36.97%
    Mushroom 35.83%
    Earthy 35.82%
    Cooked 35.25%
    Nutty 33.7%

    Scent© AI

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    5.79 (weak acid)

    Molecular weight
    262.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    468°C

    Flash point est.
    148.58 ˚C

  • Synonyms

    • 5-Methyl-2,2':5',2''-terthiophene
    • 2,2':5',2''-Terthiophene, 5-methyl-
    • 5-Methyl-alpha-terthiophene
    • 26905-73-7
    • DTXSID70181411
    • .alpha.-T Me deriv.
    • SCHEMBL498537
    • 2-methyl-5-(5-thiophen-2-ylthiophen-2-yl)thiophene
    • DTXCID80103902
    • 5-Methyl-2,2':5',2"-terthiophene
    • 5-methyl-2,2',5',2''-terthiophene
    • 2-methyl-5-[5-(2-thienyl)-2-thienyl]thiophene

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.79
    methanol 4.93
    isopropanol 8.11
    water 0.01
    ethyl acetate 63.15
    n-propanol 11.97
    acetone 85.97
    n-butanol 15.28
    acetonitrile 14.25
    DMF 151.98
    toluene 104.47
    isobutanol 10.29
    1,4-dioxane 203.95
    methyl acetate 64.85
    THF 361.65
    2-butanone 95.79
    n-pentanol 17.49
    sec-butanol 12.65
    n-hexane 2.16
    ethylene glycol 2.42
    NMP 168.17
    cyclohexane 5.92
    DMSO 65.16
    n-butyl acetate 70.98
    n-octanol 15.49
    chloroform 178.39
    n-propyl acetate 59.66
    acetic acid 16.01
    dichloromethane 167.16
    cyclohexanone 184.53
    propylene glycol 6.36
    isopropyl acetate 58.56
    DMAc 205.51
    2-ethoxyethanol 47.21
    isopentanol 19.27
    n-heptane 5.51
    ethyl formate 26.76
    1,2-dichloroethane 113.13
    n-hexanol 24.22
    2-methoxyethanol 52.44
    isobutyl acetate 61.52
    tetrachloromethane 13.71
    n-pentyl acetate 52.85
    transcutol 226.42
    n-heptanol 15.9
    ethylbenzene 48.86
    MIBK 72.54
    2-propoxyethanol 65.1
    tert-butanol 15.27
    MTBE 49.98
    2-butoxyethanol 40.6
    propionic acid 14.12
    o-xylene 49.15
    formic acid 2.8
    diethyl ether 47.5
    m-xylene 57.5
    p-xylene 54.34
    chlorobenzene 99.46
    dimethyl carbonate 45.97
    n-octane 3.13
    formamide 8.32
    cyclopentanone 236.32
    2-pentanone 85.01
    anisole 133.96
    cyclopentyl methyl ether 132.76
    gamma-butyrolactone 163.9
    1-methoxy-2-propanol 51.46
    pyridine 199.02
    3-pentanone 77.27
    furfural 166.17
    n-dodecane 3.53
    diethylene glycol 36.43
    diisopropyl ether 25.73
    tert-amyl alcohol 19.08
    acetylacetone 140.03
    n-hexadecane 4.42
    acetophenone 120.83
    methyl propionate 63.36
    isopentyl acetate 86.48
    trichloroethylene 297.31
    n-nonanol 18.4
    cyclohexanol 27.73
    benzyl alcohol 64.14
    2-ethylhexanol 28.69
    isooctanol 18.32
    dipropyl ether 52.44
    1,2-dichlorobenzene 94.71
    ethyl lactate 29.43
    propylene carbonate 90.71
    n-methylformamide 22.34
    2-pentanol 14.65
    n-pentane 2.16
    1-propoxy-2-propanol 53.61
    1-methoxy-2-propyl acetate 120.89
    2-(2-methoxypropoxy) propanol 79.6
    mesitylene 34.11
    ε-caprolactone 131.13
    p-cymene 36.97
    epichlorohydrin 255.77
    1,1,1-trichloroethane 98.88
    2-aminoethanol 6.22
    morpholine-4-carbaldehyde 227.14
    sulfolane 163.05
    2,2,4-trimethylpentane 3.8
    2-methyltetrahydrofuran 172.28
    n-hexyl acetate 61.03
    isooctane 3.55
    2-(2-butoxyethoxy)ethanol 86.61
    sec-butyl acetate 60.66
    tert-butyl acetate 92.62
    decalin 8.83
    glycerin 13.44
    diglyme 191.57
    acrylic acid 15.77
    isopropyl myristate 40.63
    n-butyric acid 28.82
    acetyl acetate 54.38
    di(2-ethylhexyl) phthalate 43.06
    ethyl propionate 58.39
    nitromethane 51.12
    1,2-diethoxyethane 114.03
    benzonitrile 76.82
    trioctyl phosphate 22.95
    1-bromopropane 53.62
    gamma-valerolactone 302.6
    n-decanol 15.57
    triethyl phosphate 43.13
    4-methyl-2-pentanol 16.5
    propionitrile 20.25
    vinylene carbonate 87.0
    1,1,2-trichlorotrifluoroethane 126.36
    DMS 85.24
    cumene 33.21
    2-octanol 13.73
    2-hexanone 76.25
    octyl acetate 41.12
    limonene 50.93
    1,2-dimethoxyethane 148.24
    ethyl orthosilicate 44.41
    tributyl phosphate 29.52
    diacetone alcohol 75.56
    N,N-dimethylaniline 86.3
    acrylonitrile 30.19
    aniline 67.56
    1,3-propanediol 13.3
    bromobenzene 127.41
    dibromomethane 93.42
    1,1,2,2-tetrachloroethane 193.87
    2-methyl-cyclohexyl acetate 80.19
    tetrabutyl urea 45.71
    diisobutyl methanol 25.3
    2-phenylethanol 69.84
    styrene 65.59
    dioctyl adipate 61.95
    dimethyl sulfate 78.76
    ethyl butyrate 66.37
    methyl lactate 31.35
    butyl lactate 35.6
    diethyl carbonate 46.09
    propanediol butyl ether 31.99
    triethyl orthoformate 62.07
    p-tert-butyltoluene 39.15
    methyl 4-tert-butylbenzoate 86.69
    morpholine 168.61
    tert-butylamine 10.01
    n-dodecanol 13.72
    dimethoxymethane 120.66
    ethylene carbonate 64.19
    cyrene 103.5
    2-ethoxyethyl acetate 99.03
    2-ethylhexyl acetate 78.72
    1,2,4-trichlorobenzene 134.39
    4-methylpyridine 163.72
    dibutyl ether 43.89
    2,6-dimethyl-4-heptanol 25.3
    DEF 99.53
    dimethyl isosorbide 181.05
    tetrachloroethylene 92.78
    eugenol 84.06
    triacetin 89.63
    span 80 59.03
    1,4-butanediol 7.65
    1,1-dichloroethane 81.44
    2-methyl-1-pentanol 23.94
    methyl formate 23.14
    2-methyl-1-butanol 17.84
    n-decane 5.29
    butyronitrile 26.92
    3,7-dimethyl-1-octanol 25.57
    1-chlorooctane 23.13
    1-chlorotetradecane 13.2
    n-nonane 4.25
    undecane 4.22
    tert-butylcyclohexane 8.43
    cyclooctane 3.61
    cyclopentanol 29.93
    tetrahydropyran 142.84
    tert-amyl methyl ether 52.67
    2,5,8-trioxanonane 147.96
    1-hexene 14.25
    2-isopropoxyethanol 45.05
    2,2,2-trifluoroethanol 8.27
    methyl butyrate 70.47

    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
Tagetes (USA) 2 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.2%
Tagetes 3a (leaf) 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 2.3%
Tagetes 3b (flower) 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 1.0%