3,6-Dihydro-4-(4-methyl-3-pentenyl)-1,2-dithiin

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  • Identifiers

    CAS number
    73188-23-5

    Molecular formula
    C10H16S2

    SMILES
    CC(=CCCC1=CCSSC1)C

    Safety labels

  • Odor profile

    Fragrance
    Green 40.52%
    Meaty 36.35%
    Roasted 34.65%
    Citrus 32.17%
    Onion 30.02%
    Fruity 28.16%
    Tropical 27.86%
    Sulfurous 27.51%
    Herbal 26.77%
    Fresh 25.47%

     

    Flavor
    Herbal 45.17%
    Green 37.46%
    Spice 36.59%
    Woody 35.54%
    Wood 35.35%
    Spicy 31.97%
    Fresh 24.02%
    Herb 23.7%
    Floral 23.51%
    Citrus 22.82%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    7.49 (neutral)

    Molecular weight
    200.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    281°C

    Flash point

    • 124.32 ˚C est.

  • Synonyms

    • 73188-23-5
    • 3,6-Dihydro-4-(4-methyl-3-pentenyl)-1,2-dithiin
    • 4-(4-methylpent-3-en-1-yl)-3,6-dihydro-1,2-dithiine
    • 4-(4-Methyl-3-pentenyl)-1,2-dithia-4-cyclohexene
    • 4-(4-methylpent-3-enyl)-3,6-dihydrodithiine
    • 5DY7N5LK3N
    • 4-(4-Methylpent-3-enyl)-3,6-dihydro-1,2-dithiin
    • SCHEMBL22498726
    • DTXSID60336615
    • CHEBI:174004
    • QQBNLTZXJHZJJD-UHFFFAOYSA-N
    • 4-(4-Methyl-3-pentenyl)-1,2-dithiacyclohex-4-ene
    • 4-(4-Methylpent-3-enyl)-3,6-dihydro-1,2-dithiine
    • 3,6-Dihydro-4-(4-methyl-3-penten-1-yl)-1,2-dithiin
    • 4-(4-Methyl-3-pentenyl)-3,6-dihydro-1,2-dithiine #
    • 1,2-Dithiin, 3,6-dihydro-4-(4-methyl-3-penten-1-yl)-
    • 73188-23-5

  • Applications

    3,6-Dihydro-4-(4-methyl-3-pentenyl)-1,2-dithiin (CAS 73188-23-5) is primarily used as an intermediate in organic synthesis, particularly for sulfur-containing heterocycles. With the 4-methyl-3-pentenyl prenyl-like group, it is often evaluated as a fragrance ingredient or odorant in perfumery and cosmetics. It can also be considered as a starting material for other chemical manufacturing processes and may be used as a specialty additive in polymer systems, coatings, and inks, depending on process conditions and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 209.09
    methanol 105.92
    isopropanol 150.98
    water 0.04
    ethyl acetate 1036.82
    n-propanol 204.96
    acetone 1008.08
    n-butanol 231.85
    acetonitrile 377.03
    DMF 465.47
    toluene 1346.03
    isobutanol 146.81
    1,4-dioxane 2222.21
    methyl acetate 708.59
    THF 2306.71
    2-butanone 915.73
    n-pentanol 178.53
    sec-butanol 184.21
    n-hexane 93.93
    ethylene glycol 25.02
    NMP 674.54
    cyclohexane 496.06
    DMSO 567.6
    n-butyl acetate 1051.7
    n-octanol 160.94
    chloroform 2133.14
    n-propyl acetate 543.49
    acetic acid 240.68
    dichloromethane 1607.85
    cyclohexanone 1571.72
    propylene glycol 61.17
    isopropyl acetate 619.83
    DMAc 604.79
    2-ethoxyethanol 323.99
    isopentanol 197.88
    n-heptane 175.12
    ethyl formate 344.95
    1,2-dichloroethane 1149.78
    n-hexanol 340.81
    2-methoxyethanol 410.2
    isobutyl acetate 359.69
    tetrachloromethane 319.88
    n-pentyl acetate 392.03
    transcutol 2323.94
    n-heptanol 145.79
    ethylbenzene 392.89
    MIBK 422.74
    2-propoxyethanol 589.19
    tert-butanol 229.19
    MTBE 529.59
    2-butoxyethanol 292.2
    propionic acid 205.47
    o-xylene 537.61
    formic acid 33.07
    diethyl ether 969.8
    m-xylene 572.87
    p-xylene 435.45
    chlorobenzene 997.51
    dimethyl carbonate 230.13
    n-octane 46.42
    formamide 71.74
    cyclopentanone 1361.5
    2-pentanone 800.25
    anisole 668.06
    cyclopentyl methyl ether 1091.06
    gamma-butyrolactone 1051.3
    1-methoxy-2-propanol 354.76
    pyridine 1848.28
    3-pentanone 784.83
    furfural 1023.87
    n-dodecane 30.39
    diethylene glycol 260.18
    diisopropyl ether 314.95
    tert-amyl alcohol 215.85
    acetylacetone 970.28
    n-hexadecane 38.38
    acetophenone 544.61
    methyl propionate 590.23
    isopentyl acetate 795.47
    trichloroethylene 2328.04
    n-nonanol 164.78
    cyclohexanol 446.05
    benzyl alcohol 332.03
    2-ethylhexanol 335.71
    isooctanol 131.18
    dipropyl ether 842.09
    1,2-dichlorobenzene 707.72
    ethyl lactate 156.77
    propylene carbonate 664.12
    n-methylformamide 161.71
    2-pentanol 182.6
    n-pentane 104.87
    1-propoxy-2-propanol 549.19
    1-methoxy-2-propyl acetate 966.88
    2-(2-methoxypropoxy) propanol 422.56
    mesitylene 334.96
    ε-caprolactone 1128.47
    p-cymene 289.92
    epichlorohydrin 1505.57
    1,1,1-trichloroethane 1245.8
    2-aminoethanol 67.06
    morpholine-4-carbaldehyde 1097.98
    sulfolane 942.41
    2,2,4-trimethylpentane 48.89
    2-methyltetrahydrofuran 1571.09
    n-hexyl acetate 493.36
    isooctane 40.72
    2-(2-butoxyethoxy)ethanol 590.31
    sec-butyl acetate 401.29
    tert-butyl acetate 656.13
    decalin 133.7
    glycerin 86.82
    diglyme 1303.14
    acrylic acid 160.38
    isopropyl myristate 236.64
    n-butyric acid 432.88
    acetyl acetate 699.59
    di(2-ethylhexyl) phthalate 191.33
    ethyl propionate 433.38
    nitromethane 548.77
    1,2-diethoxyethane 1279.28
    benzonitrile 588.89
    trioctyl phosphate 120.88
    1-bromopropane 742.55
    gamma-valerolactone 1600.77
    n-decanol 122.14
    triethyl phosphate 263.59
    4-methyl-2-pentanol 121.94
    propionitrile 349.96
    vinylene carbonate 591.26
    1,1,2-trichlorotrifluoroethane 746.24
    DMS 446.65
    cumene 195.05
    2-octanol 99.44
    2-hexanone 495.53
    octyl acetate 274.11
    limonene 506.56
    1,2-dimethoxyethane 871.98
    ethyl orthosilicate 278.69
    tributyl phosphate 170.87
    diacetone alcohol 423.38
    N,N-dimethylaniline 348.28
    acrylonitrile 339.83
    aniline 707.76
    1,3-propanediol 131.49
    bromobenzene 1214.54
    dibromomethane 1112.48
    1,1,2,2-tetrachloroethane 1751.8
    2-methyl-cyclohexyl acetate 480.13
    tetrabutyl urea 227.94
    diisobutyl methanol 200.3
    2-phenylethanol 423.22
    styrene 538.04
    dioctyl adipate 334.46
    dimethyl sulfate 276.17
    ethyl butyrate 702.32
    methyl lactate 171.43
    butyl lactate 228.7
    diethyl carbonate 413.85
    propanediol butyl ether 234.71
    triethyl orthoformate 521.11
    p-tert-butyltoluene 277.59
    methyl 4-tert-butylbenzoate 358.42
    morpholine 1832.67
    tert-butylamine 164.97
    n-dodecanol 99.32
    dimethoxymethane 599.09
    ethylene carbonate 554.71
    cyrene 354.22
    2-ethoxyethyl acetate 709.6
    2-ethylhexyl acetate 739.04
    1,2,4-trichlorobenzene 892.6
    4-methylpyridine 1500.59
    dibutyl ether 533.05
    2,6-dimethyl-4-heptanol 200.3
    DEF 719.66
    dimethyl isosorbide 802.19
    tetrachloroethylene 1037.53
    eugenol 301.23
    triacetin 570.62
    span 80 367.09
    1,4-butanediol 54.68
    1,1-dichloroethane 1037.16
    2-methyl-1-pentanol 176.01
    methyl formate 163.81
    2-methyl-1-butanol 188.27
    n-decane 59.37
    butyronitrile 418.01
    3,7-dimethyl-1-octanol 208.66
    1-chlorooctane 222.06
    1-chlorotetradecane 88.2
    n-nonane 61.2
    undecane 39.81
    tert-butylcyclohexane 90.79
    cyclooctane 169.72
    cyclopentanol 324.6
    tetrahydropyran 2257.34
    tert-amyl methyl ether 455.19
    2,5,8-trioxanonane 853.98
    1-hexene 281.56
    2-isopropoxyethanol 267.59
    2,2,2-trifluoroethanol 79.2
    methyl butyrate 529.19

    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