5-Methyl-2,3-dihydrothiophene

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  • Identifiers

    CAS number
    4610-02-0

    Molecular formula
    C5H8S

    SMILES
    CC1=CCCS1

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 77.41%
    Onion 55.88%
    Meaty 55.21%
    Alliaceous 52.13%
    Garlic 51.02%
    Roasted 37.72%
    Savory 35.3%
    Vegetable 34.67%
    Tropical 30.48%
    Burnt 30.02%

     

    Flavor
    Sulfurous 45.47%
    Green 41.86%
    Onion 38.83%
    Garlic 36.97%
    Alliaceous 34.29%
    Roasted 32.13%
    Vegetable 31.76%
    Sulfur 28.74%
    Meaty 27.51%
    Shrimp 23.5%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    7.49 (neutral)

    Molecular weight
    100.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    132°C

    Flash point

    • 29.79 ˚C est.

  • Synonyms

    • 5-Methyl-2,3-dihydrothiophene
    • 2-Methyl-4,5-dihydrothiophene
    • 4610-02-0
    • Thiophene,-2-methyl 4,5-dihydro-
    • 2,3-Dihydro-5-methylthiophene
    • 2,3-Dihydro-5-methyl-thiophene
    • Thiophene, 2,3-dihydro-5-methyl-
    • SCHEMBL257426
    • 4,5-dihydro-2-methylthiophene
    • SCHEMBL11406179
    • CHEBI:167067
    • KBUVXRDFMQNIPD-UHFFFAOYSA-N
    • 5-Methyl-2,3-dihydrothiophene #
    • DTXSID401307233
    • 4610-02-0

  • Applications

    5-Methyl-2,3-dihydrothiophene (CAS 4610-02-0) is primarily used as a synthetic building block in organic chemistry, serving as a starting point for the preparation of sulfur-containing heterocycles and related intermediates. In perfumery and fragrances, it is commonly evaluated as a fragrance intermediate or odor precursor. In cosmetics and personal care, it may be used as a precursor in fragrance formulations or as a building block for specialty aroma chemicals. In pharmaceuticals, it can function as a synthetic intermediate or scaffold in medicinal chemistry programs. In polymers and coatings, it is employed as a specialized building block for sulfur-containing monomers and related materials, supporting the development of niche polymeric and coating applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 599.14
    methanol 458.46
    isopropanol 478.81
    water 3.71
    ethyl acetate 1094.85
    n-propanol 570.81
    acetone 853.37
    n-butanol 559.62
    acetonitrile 920.54
    DMF 704.51
    toluene 794.19
    isobutanol 380.02
    1,4-dioxane 1641.34
    methyl acetate 949.99
    THF 1227.56
    2-butanone 899.07
    n-pentanol 375.02
    sec-butanol 552.68
    n-hexane 130.11
    ethylene glycol 180.6
    NMP 706.04
    cyclohexane 250.01
    DMSO 543.8
    n-butyl acetate 722.61
    n-octanol 333.27
    chloroform 2535.84
    n-propyl acetate 472.27
    acetic acid 633.06
    dichloromethane 1714.52
    cyclohexanone 886.98
    propylene glycol 302.48
    isopropyl acetate 579.15
    DMAc 847.2
    2-ethoxyethanol 632.31
    isopentanol 415.82
    n-heptane 193.88
    ethyl formate 461.43
    1,2-dichloroethane 849.27
    n-hexanol 563.95
    2-methoxyethanol 830.62
    isobutyl acetate 286.42
    tetrachloromethane 598.81
    n-pentyl acetate 413.32
    transcutol 1974.83
    n-heptanol 339.71
    ethylbenzene 304.87
    MIBK 407.33
    2-propoxyethanol 839.43
    tert-butanol 547.23
    MTBE 641.08
    2-butoxyethanol 551.79
    propionic acid 593.03
    o-xylene 427.6
    formic acid 176.87
    diethyl ether 870.03
    m-xylene 473.42
    p-xylene 366.31
    chlorobenzene 742.7
    dimethyl carbonate 328.73
    n-octane 74.73
    formamide 305.92
    cyclopentanone 933.2
    2-pentanone 710.95
    anisole 694.77
    cyclopentyl methyl ether 701.69
    gamma-butyrolactone 898.36
    1-methoxy-2-propanol 707.32
    pyridine 1350.01
    3-pentanone 659.96
    furfural 1021.31
    n-dodecane 59.29
    diethylene glycol 543.87
    diisopropyl ether 306.61
    tert-amyl alcohol 540.02
    acetylacetone 794.64
    n-hexadecane 67.12
    acetophenone 525.5
    methyl propionate 697.94
    isopentyl acetate 513.56
    trichloroethylene 1838.71
    n-nonanol 313.34
    cyclohexanol 478.78
    benzyl alcohol 453.0
    2-ethylhexanol 392.85
    isooctanol 259.38
    dipropyl ether 584.81
    1,2-dichlorobenzene 626.41
    ethyl lactate 221.89
    propylene carbonate 559.76
    n-methylformamide 431.38
    2-pentanol 471.55
    n-pentane 179.12
    1-propoxy-2-propanol 704.47
    1-methoxy-2-propyl acetate 673.34
    2-(2-methoxypropoxy) propanol 514.03
    mesitylene 279.46
    ε-caprolactone 774.18
    p-cymene 268.16
    epichlorohydrin 1042.34
    1,1,1-trichloroethane 1284.64
    2-aminoethanol 346.11
    morpholine-4-carbaldehyde 1032.16
    sulfolane 696.84
    2,2,4-trimethylpentane 93.07
    2-methyltetrahydrofuran 981.9
    n-hexyl acetate 529.95
    isooctane 70.63
    2-(2-butoxyethoxy)ethanol 716.28
    sec-butyl acetate 360.46
    tert-butyl acetate 574.39
    decalin 114.82
    glycerin 353.61
    diglyme 1266.5
    acrylic acid 486.57
    isopropyl myristate 243.53
    n-butyric acid 756.87
    acetyl acetate 750.16
    di(2-ethylhexyl) phthalate 204.42
    ethyl propionate 445.26
    nitromethane 997.51
    1,2-diethoxyethane 893.04
    benzonitrile 612.89
    trioctyl phosphate 140.79
    1-bromopropane 672.99
    gamma-valerolactone 1155.86
    n-decanol 237.83
    triethyl phosphate 213.69
    4-methyl-2-pentanol 269.1
    propionitrile 721.23
    vinylene carbonate 624.09
    1,1,2-trichlorotrifluoroethane 846.77
    DMS 397.98
    cumene 202.87
    2-octanol 226.1
    2-hexanone 461.56
    octyl acetate 313.46
    limonene 372.58
    1,2-dimethoxyethane 830.71
    ethyl orthosilicate 231.8
    tributyl phosphate 169.58
    diacetone alcohol 529.19
    N,N-dimethylaniline 397.35
    acrylonitrile 742.36
    aniline 732.62
    1,3-propanediol 423.06
    bromobenzene 839.27
    dibromomethane 1194.97
    1,1,2,2-tetrachloroethane 1350.81
    2-methyl-cyclohexyl acetate 362.0
    tetrabutyl urea 206.11
    diisobutyl methanol 231.86
    2-phenylethanol 500.28
    styrene 418.89
    dioctyl adipate 309.69
    dimethyl sulfate 383.51
    ethyl butyrate 552.11
    methyl lactate 333.12
    butyl lactate 286.16
    diethyl carbonate 355.52
    propanediol butyl ether 421.7
    triethyl orthoformate 405.48
    p-tert-butyltoluene 274.53
    methyl 4-tert-butylbenzoate 434.76
    morpholine 1443.17
    tert-butylamine 397.09
    n-dodecanol 189.14
    dimethoxymethane 584.04
    ethylene carbonate 502.02
    cyrene 380.95
    2-ethoxyethyl acetate 631.21
    2-ethylhexyl acetate 449.53
    1,2,4-trichlorobenzene 734.68
    4-methylpyridine 1068.95
    dibutyl ether 466.85
    2,6-dimethyl-4-heptanol 231.86
    DEF 710.29
    dimethyl isosorbide 683.47
    tetrachloroethylene 962.69
    eugenol 417.1
    triacetin 543.94
    span 80 480.77
    1,4-butanediol 197.27
    1,1-dichloroethane 1119.91
    2-methyl-1-pentanol 334.42
    methyl formate 314.66
    2-methyl-1-butanol 439.08
    n-decane 101.23
    butyronitrile 680.91
    3,7-dimethyl-1-octanol 321.67
    1-chlorooctane 274.89
    1-chlorotetradecane 123.73
    n-nonane 99.87
    undecane 74.57
    tert-butylcyclohexane 96.28
    cyclooctane 120.89
    cyclopentanol 431.78
    tetrahydropyran 1155.04
    tert-amyl methyl ether 518.62
    2,5,8-trioxanonane 849.85
    1-hexene 318.12
    2-isopropoxyethanol 485.46
    2,2,2-trifluoroethanol 286.69
    methyl butyrate 483.44

    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