Alpha-Terthienyl

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    1081-34-1

    Molecular formula
    C12H8S3

    SMILES
    C1=CSC(=C1)C2=CC=C(S2)C3=CC=CS3

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Sulfurous 72.87%
    Meaty 64.12%
    Burnt 60.74%
    Coffee 49.34%
    Mushroom 48.75%
    Roasted 48.3%
    Earthy 44.6%
    Cooked 35.73%
    Savory 35.69%
    Garlic 32.12%

    Scent© AI

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    5.7 (weak acid)

    Molecular weight
    248.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    443°C

    Flash point est.
    148.29 ˚C

  • Synonyms

    • 2,2':5',2''-Terthiophene
    • 1081-34-1
    • alpha-Terthienyl
    • alpha-Terthiophene
    • 2,2',5',2''-Terthienyl
    • 2,5-dithiophen-2-ylthiophene
    • .alpha.-Terthienyl
    • MFCD00012167
    • 2,2:5,2-Terthiophene
    • 0P77RAU2RR
    • 2,2':5'2''-Terthiophene
    • DTXSID2041206
    • CHEBI:10335
    • TERTHIENYL, ALPHA-
    • 5-(thiophen-2-yl)-2,2'-bithiophene
    • DTXCID0021206
    • .ALPHA.-TERTHIENYL [MI]
    • 2,5-Di(2-thienyl)thiophene
    • 2,2':5',2''-Terthiophene (purified by sublimation)
    • 2,5-bis(2-thienyl)thiophene
    • C12H8S3
    • 2,2':5',2-Terthienyl
    • 2,2,5,2''-terthiophene
    • UNII-0P77RAU2RR
    • Trithiophene
    • .a.-Terthienyl
    • 2,2'-5',2''-Terthiophene
    • 2,5-bis(thiophen-2-yl)thiophene
    • I+/--Terthienyl
    • .alpha.-Terthiophene
    • 2,2':5',2'-TERTHIOPHENE
    • Maybridge1_007704
    • 2,5-dithiophen-2-ylthiophen
    • BIDD:GT0270
    • CHEMBL90017
    • SCHEMBL147274
    • 2,2':5',2"-Terthiophene
    • MEGxp0_001543
    • SCHEMBL7035120
    • SCHEMBL7035123
    • 2,2':5',2''-Terthienyl
    • HMS563G04
    • [2,2';5',2'']Terthiophene
    • 2,2' :5'-2''-Terthiophene
    • HY-N2048
    • Tox21_300648
    • CCG-45845
    • GEO-02224
    • AKOS005257658
    • 2,2'-Bithiophene, 5-(2-thienyl)-
    • 2,2\':5\',2\'\'-terthiophene
    • AC-4934
    • CS-W019822
    • DS-1915
    • SB66306
    • 2,2':5',2''-Terthiophene, 99%
    • NCGC00248126-01
    • NCGC00254556-01
    • SY021551
    • CAS-1081-34-1
    • NS00073939
    • S4982
    • T1196
    • alpha-Terthienyl, 2,5-Di(2-thienyl)thiophene
    • C08460
    • T40015
    • alpha-Terthienyl (2,2',5',2''-Terthiophene)
    • 2,2':5',2''-Terthiophene, (=alpha-Terthienyl)
    • Q3491255
    • SR-01000635590-1
    • BRD-K90438232-001-01-6
    • 2,2 inverted exclamation mark :5 inverted exclamation mark ,2 inverted exclamation mark inverted exclamation mark -Terthiophene
    • 2,2 inverted exclamation marka:5 inverted exclamation marka,2 inverted exclamation marka inverted exclamation marka-Terthiophene
    • 640-441-1
    • 99611-76-4

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.9
    methanol 1.81
    isopropanol 2.09
    water 0.0
    ethyl acetate 20.37
    n-propanol 3.32
    acetone 21.87
    n-butanol 4.13
    acetonitrile 4.48
    DMF 55.52
    toluene 40.3
    isobutanol 2.81
    1,4-dioxane 66.28
    methyl acetate 17.71
    THF 143.44
    2-butanone 25.61
    n-pentanol 4.76
    sec-butanol 3.29
    n-hexane 1.43
    ethylene glycol 0.85
    NMP 104.61
    cyclohexane 3.48
    DMSO 25.1
    n-butyl acetate 26.08
    n-octanol 4.01
    chloroform 63.75
    n-propyl acetate 20.29
    acetic acid 6.12
    dichloromethane 60.23
    cyclohexanone 69.09
    propylene glycol 1.6
    isopropyl acetate 21.95
    DMAc 75.84
    2-ethoxyethanol 13.82
    isopentanol 5.77
    n-heptane 2.82
    ethyl formate 8.89
    1,2-dichloroethane 45.23
    n-hexanol 7.36
    2-methoxyethanol 16.24
    isobutyl acetate 20.44
    tetrachloromethane 6.87
    n-pentyl acetate 18.44
    transcutol 64.59
    n-heptanol 4.94
    ethylbenzene 22.54
    MIBK 26.96
    2-propoxyethanol 21.57
    tert-butanol 4.13
    MTBE 15.04
    2-butoxyethanol 13.58
    propionic acid 5.25
    o-xylene 24.33
    formic acid 1.32
    diethyl ether 15.66
    m-xylene 25.62
    p-xylene 21.99
    chlorobenzene 42.7
    dimethyl carbonate 21.0
    n-octane 1.29
    formamide 3.71
    cyclopentanone 101.2
    2-pentanone 27.16
    anisole 53.29
    cyclopentyl methyl ether 55.91
    gamma-butyrolactone 76.13
    1-methoxy-2-propanol 15.45
    pyridine 76.93
    3-pentanone 27.2
    furfural 80.81
    n-dodecane 1.15
    diethylene glycol 12.38
    diisopropyl ether 10.36
    tert-amyl alcohol 5.84
    acetylacetone 54.48
    n-hexadecane 1.46
    acetophenone 51.17
    methyl propionate 21.9
    isopentyl acetate 32.81
    trichloroethylene 124.5
    n-nonanol 5.21
    cyclohexanol 9.77
    benzyl alcohol 23.02
    2-ethylhexanol 10.43
    isooctanol 5.76
    dipropyl ether 22.43
    1,2-dichlorobenzene 45.13
    ethyl lactate 11.59
    propylene carbonate 39.49
    n-methylformamide 9.18
    2-pentanol 4.23
    n-pentane 1.25
    1-propoxy-2-propanol 18.92
    1-methoxy-2-propyl acetate 47.48
    2-(2-methoxypropoxy) propanol 26.9
    mesitylene 17.06
    ε-caprolactone 54.29
    p-cymene 18.07
    epichlorohydrin 103.13
    1,1,1-trichloroethane 39.36
    2-aminoethanol 2.08
    morpholine-4-carbaldehyde 104.81
    sulfolane 92.04
    2,2,4-trimethylpentane 2.02
    2-methyltetrahydrofuran 66.61
    n-hexyl acetate 18.59
    isooctane 1.7
    2-(2-butoxyethoxy)ethanol 28.09
    sec-butyl acetate 21.96
    tert-butyl acetate 36.87
    decalin 5.33
    glycerin 4.67
    diglyme 69.28
    acrylic acid 6.66
    isopropyl myristate 14.93
    n-butyric acid 10.28
    acetyl acetate 22.94
    di(2-ethylhexyl) phthalate 15.96
    ethyl propionate 23.01
    nitromethane 19.3
    1,2-diethoxyethane 35.82
    benzonitrile 29.83
    trioctyl phosphate 8.54
    1-bromopropane 19.47
    gamma-valerolactone 119.5
    n-decanol 4.37
    triethyl phosphate 21.54
    4-methyl-2-pentanol 5.2
    propionitrile 6.55
    vinylene carbonate 38.63
    1,1,2-trichlorotrifluoroethane 58.74
    DMS 33.85
    cumene 15.9
    2-octanol 3.92
    2-hexanone 25.61
    octyl acetate 13.89
    limonene 24.98
    1,2-dimethoxyethane 48.35
    ethyl orthosilicate 21.48
    tributyl phosphate 11.52
    diacetone alcohol 28.24
    N,N-dimethylaniline 40.13
    acrylonitrile 10.84
    aniline 26.26
    1,3-propanediol 4.01
    bromobenzene 55.46
    dibromomethane 35.37
    1,1,2,2-tetrachloroethane 85.8
    2-methyl-cyclohexyl acetate 36.19
    tetrabutyl urea 18.6
    diisobutyl methanol 10.31
    2-phenylethanol 26.56
    styrene 29.18
    dioctyl adipate 23.93
    dimethyl sulfate 43.02
    ethyl butyrate 28.36
    methyl lactate 12.9
    butyl lactate 13.09
    diethyl carbonate 20.41
    propanediol butyl ether 9.25
    triethyl orthoformate 28.21
    p-tert-butyltoluene 18.61
    methyl 4-tert-butylbenzoate 36.94
    morpholine 55.14
    tert-butylamine 3.17
    n-dodecanol 3.86
    dimethoxymethane 42.05
    ethylene carbonate 27.28
    cyrene 46.93
    2-ethoxyethyl acetate 32.33
    2-ethylhexyl acetate 31.05
    1,2,4-trichlorobenzene 69.12
    4-methylpyridine 60.93
    dibutyl ether 14.11
    2,6-dimethyl-4-heptanol 10.31
    DEF 40.61
    dimethyl isosorbide 79.0
    tetrachloroethylene 47.11
    eugenol 34.25
    triacetin 32.07
    span 80 21.33
    1,4-butanediol 2.04
    1,1-dichloroethane 25.92
    2-methyl-1-pentanol 7.2
    methyl formate 9.66
    2-methyl-1-butanol 5.28
    n-decane 1.71
    butyronitrile 7.9
    3,7-dimethyl-1-octanol 7.4
    1-chlorooctane 7.3
    1-chlorotetradecane 4.43
    n-nonane 1.37
    undecane 1.36
    tert-butylcyclohexane 4.61
    cyclooctane 2.51
    cyclopentanol 10.95
    tetrahydropyran 46.97
    tert-amyl methyl ether 19.46
    2,5,8-trioxanonane 58.07
    1-hexene 6.1
    2-isopropoxyethanol 12.76
    2,2,2-trifluoroethanol 3.86
    methyl butyrate 26.44

    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) 0.36%
Tagetes 3a (leaf) 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.4%
Tagetes 3b (flower) 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 2.1%
Curcuma aromatica (India) 2b rhizome Curcuma aromatica Salisb., fam. Zingiberaceae 0.5%