3-Methylthiophene

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  • Identifiers

    CAS number
    616-44-4

    Molecular formula
    C5H6S

    SMILES
    CC1=CSC=C1

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Sulfurous 72.21%
    Onion 55.01%
    Roasted 53.56%
    Alliaceous 53.11%
    Pungent 48.94%
    Fatty 47.74%
    Garlic 45.61%
    Meaty 42.45%
    Burnt 41.37%
    Savory 39.94%

    Scent© AI

  • Properties

    XLogP3-AA
    2.3

    Molecular weight
    98.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -69 °C

    Boiling point

    • 115.00 °C. @ 760.00 mm Hg

    Flash point est.
    7.37 ˚C

    Solubility expt.

    • 0.4 mg/mL at 25 °C

  • Synonyms

    • 3-METHYLTHIOPHENE
    • 616-44-4
    • Thiophene, 3-methyl-
    • 3-Thiotolene
    • 3-methyl-thiophene
    • beta-Methylthiophene
    • Methyl-3-thiophene
    • CCRIS 2937
    • b-Thiotolene
    • FK9ID0X5QV
    • EINECS 210-482-6
    • NSC 65439
    • BRN 0001300
    • .beta.-Methylthiophene
    • 3-THIENYLMETHANE
    • UNII-FK9ID0X5QV
    • MFCD00005470
    • NSC-65439
    • DTXSID8060666
    • 5-17-01-00331 (Beilstein Handbook Reference)
    • 84928-92-7
    • P3MT
    • 3Thiotolene
    • betaMethylthiophene
    • 3-methyl thiophene
    • Thiophene, 3methyl
    • 3-Methylthiophene, 98%
    • WLN: T5SJ C1
    • DTXCID7043083
    • CHEBI:89007
    • NSC65439
    • 3-Methylthiophene, analytical standard
    • AKOS009156543
    • PS-9336
    • DB-053956
    • M0440
    • NS00022510
    • EN300-55387
    • Q27161143
    • F0001-1633

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 227.94
    methanol 173.82
    isopropanol 169.28
    water 1.65
    ethyl acetate 436.93
    n-propanol 222.63
    acetone 297.23
    n-butanol 216.72
    acetonitrile 274.67
    DMF 211.31
    toluene 333.82
    isobutanol 140.7
    1,4-dioxane 603.36
    methyl acetate 348.83
    THF 504.76
    2-butanone 360.07
    n-pentanol 179.85
    sec-butanol 203.62
    n-hexane 65.53
    ethylene glycol 53.78
    NMP 231.22
    cyclohexane 84.36
    DMSO 190.98
    n-butyl acetate 296.37
    n-octanol 130.68
    chloroform 943.47
    n-propyl acetate 207.0
    acetic acid 170.23
    dichloromethane 614.05
    cyclohexanone 321.1
    propylene glycol 89.17
    isopropyl acetate 242.1
    DMAc 338.79
    2-ethoxyethanol 255.54
    isopentanol 165.0
    n-heptane 93.66
    ethyl formate 150.84
    1,2-dichloroethane 327.76
    n-hexanol 262.22
    2-methoxyethanol 301.97
    isobutyl acetate 142.9
    tetrachloromethane 213.58
    n-pentyl acetate 166.13
    transcutol 885.46
    n-heptanol 143.08
    ethylbenzene 143.55
    MIBK 196.48
    2-propoxyethanol 359.09
    tert-butanol 200.53
    MTBE 272.86
    2-butoxyethanol 225.86
    propionic acid 186.88
    o-xylene 193.02
    formic acid 48.32
    diethyl ether 410.46
    m-xylene 201.05
    p-xylene 167.09
    chlorobenzene 290.28
    dimethyl carbonate 117.73
    n-octane 35.16
    formamide 91.25
    cyclopentanone 337.83
    2-pentanone 307.89
    anisole 316.58
    cyclopentyl methyl ether 305.63
    gamma-butyrolactone 304.03
    1-methoxy-2-propanol 275.49
    pyridine 513.33
    3-pentanone 287.05
    furfural 327.84
    n-dodecane 24.34
    diethylene glycol 204.04
    diisopropyl ether 146.15
    tert-amyl alcohol 208.81
    acetylacetone 288.78
    n-hexadecane 27.21
    acetophenone 239.87
    methyl propionate 284.27
    isopentyl acetate 217.52
    trichloroethylene 707.21
    n-nonanol 126.54
    cyclohexanol 175.76
    benzyl alcohol 193.61
    2-ethylhexanol 184.63
    isooctanol 114.69
    dipropyl ether 293.89
    1,2-dichlorobenzene 246.55
    ethyl lactate 92.55
    propylene carbonate 192.37
    n-methylformamide 136.15
    2-pentanol 181.69
    n-pentane 73.17
    1-propoxy-2-propanol 296.42
    1-methoxy-2-propyl acetate 289.78
    2-(2-methoxypropoxy) propanol 227.27
    mesitylene 119.96
    ε-caprolactone 303.63
    p-cymene 121.16
    epichlorohydrin 389.74
    1,1,1-trichloroethane 473.84
    2-aminoethanol 118.85
    morpholine-4-carbaldehyde 355.74
    sulfolane 236.6
    2,2,4-trimethylpentane 41.43
    2-methyltetrahydrofuran 424.21
    n-hexyl acetate 199.45
    isooctane 32.09
    2-(2-butoxyethoxy)ethanol 311.81
    sec-butyl acetate 168.96
    tert-butyl acetate 239.74
    decalin 50.61
    glycerin 110.91
    diglyme 529.71
    acrylic acid 150.98
    isopropyl myristate 103.79
    n-butyric acid 257.01
    acetyl acetate 258.12
    di(2-ethylhexyl) phthalate 90.56
    ethyl propionate 200.24
    nitromethane 275.14
    1,2-diethoxyethane 421.07
    benzonitrile 230.78
    trioctyl phosphate 55.49
    1-bromopropane 285.89
    gamma-valerolactone 388.49
    n-decanol 96.73
    triethyl phosphate 93.08
    4-methyl-2-pentanol 115.26
    propionitrile 250.98
    vinylene carbonate 208.1
    1,1,2-trichlorotrifluoroethane 300.25
    DMS 155.02
    cumene 100.19
    2-octanol 95.16
    2-hexanone 227.51
    octyl acetate 129.11
    limonene 161.82
    1,2-dimethoxyethane 335.65
    ethyl orthosilicate 98.2
    tributyl phosphate 64.11
    diacetone alcohol 225.11
    N,N-dimethylaniline 204.67
    acrylonitrile 250.11
    aniline 294.79
    1,3-propanediol 151.22
    bromobenzene 324.22
    dibromomethane 456.05
    1,1,2,2-tetrachloroethane 536.17
    2-methyl-cyclohexyl acetate 166.99
    tetrabutyl urea 84.4
    diisobutyl methanol 109.9
    2-phenylethanol 231.9
    styrene 197.25
    dioctyl adipate 131.61
    dimethyl sulfate 137.52
    ethyl butyrate 245.6
    methyl lactate 114.82
    butyl lactate 109.28
    diethyl carbonate 148.36
    propanediol butyl ether 153.17
    triethyl orthoformate 169.17
    p-tert-butyltoluene 119.56
    methyl 4-tert-butylbenzoate 190.43
    morpholine 553.1
    tert-butylamine 154.64
    n-dodecanol 77.67
    dimethoxymethane 236.8
    ethylene carbonate 174.6
    cyrene 163.63
    2-ethoxyethyl acetate 255.58
    2-ethylhexyl acetate 200.37
    1,2,4-trichlorobenzene 305.27
    4-methylpyridine 430.58
    dibutyl ether 205.6
    2,6-dimethyl-4-heptanol 109.9
    DEF 279.84
    dimethyl isosorbide 317.97
    tetrachloroethylene 404.27
    eugenol 183.68
    triacetin 205.47
    span 80 188.18
    1,4-butanediol 75.88
    1,1-dichloroethane 418.02
    2-methyl-1-pentanol 165.3
    methyl formate 93.08
    2-methyl-1-butanol 170.03
    n-decane 42.21
    butyronitrile 245.55
    3,7-dimethyl-1-octanol 133.02
    1-chlorooctane 117.45
    1-chlorotetradecane 51.85
    n-nonane 42.22
    undecane 30.32
    tert-butylcyclohexane 47.39
    cyclooctane 45.02
    cyclopentanol 163.59
    tetrahydropyran 482.77
    tert-amyl methyl ether 244.12
    2,5,8-trioxanonane 379.49
    1-hexene 166.48
    2-isopropoxyethanol 212.79
    2,2,2-trifluoroethanol 81.39
    methyl butyrate 203.79

    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
Truffle, Asian Tuber indicum Cooke et Mass. (T. himalayense Zhang-Minter),fam.Ascomycetae 0.5%