4-Methyl-1,2-dithiacyclopentene

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C4H6S2

    SMILES
    CC1=CSSC1

  • Odor profile

    Sulfurous 70.52%
    Onion 57.49%
    Garlic 54.16%
    Meaty 49.87%
    Roasted 49.53%
    Alliaceous 41.25%
    Cooked 37.71%
    Savory 37.17%
    Pungent 26.76%
    Beefy 25.71%

    Scent© AI

  • Properties

    XLogP3-AA
    0.8

    Molecular weight
    118.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    165°C

    Flash point est.
    59.37 ˚C

  • Synonyms

    • SCHEMBL2929220
    • 4-methyl-1,2-dithiacyclopentene

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 280.0
    methanol 225.69
    isopropanol 251.42
    water 2.18
    ethyl acetate 556.44
    n-propanol 270.66
    acetone 864.73
    n-butanol 273.57
    acetonitrile 471.89
    DMF 697.25
    toluene 662.15
    isobutanol 219.05
    1,4-dioxane 1163.61
    methyl acetate 566.44
    THF 1095.78
    2-butanone 733.96
    n-pentanol 218.13
    sec-butanol 275.25
    n-hexane 81.83
    ethylene glycol 116.34
    NMP 821.63
    cyclohexane 232.15
    DMSO 614.75
    n-butyl acetate 457.45
    n-octanol 258.25
    chloroform 1203.12
    n-propyl acetate 325.53
    acetic acid 369.74
    dichloromethane 861.66
    cyclohexanone 929.64
    propylene glycol 167.83
    isopropyl acetate 352.31
    DMAc 728.52
    2-ethoxyethanol 391.83
    isopentanol 239.41
    n-heptane 149.38
    ethyl formate 266.47
    1,2-dichloroethane 519.98
    n-hexanol 348.54
    2-methoxyethanol 527.98
    isobutyl acetate 249.67
    tetrachloromethane 274.75
    n-pentyl acetate 311.41
    transcutol 1534.53
    n-heptanol 214.29
    ethylbenzene 250.32
    MIBK 370.53
    2-propoxyethanol 579.75
    tert-butanol 340.71
    MTBE 400.33
    2-butoxyethanol 365.42
    propionic acid 301.12
    o-xylene 382.19
    formic acid 106.73
    diethyl ether 506.9
    m-xylene 418.04
    p-xylene 310.51
    chlorobenzene 560.53
    dimethyl carbonate 263.47
    n-octane 55.57
    formamide 167.88
    cyclopentanone 981.08
    2-pentanone 598.04
    anisole 521.41
    cyclopentyl methyl ether 650.01
    gamma-butyrolactone 799.57
    1-methoxy-2-propanol 496.12
    pyridine 882.02
    3-pentanone 542.9
    furfural 843.77
    n-dodecane 51.27
    diethylene glycol 422.52
    diisopropyl ether 223.03
    tert-amyl alcohol 307.67
    acetylacetone 690.96
    n-hexadecane 59.11
    acetophenone 469.94
    methyl propionate 457.05
    isopentyl acetate 388.99
    trichloroethylene 1150.02
    n-nonanol 236.16
    cyclohexanol 400.68
    benzyl alcohol 326.73
    2-ethylhexanol 272.41
    isooctanol 174.01
    dipropyl ether 415.11
    1,2-dichlorobenzene 492.23
    ethyl lactate 185.91
    propylene carbonate 468.83
    n-methylformamide 279.75
    2-pentanol 254.83
    n-pentane 103.36
    1-propoxy-2-propanol 504.38
    1-methoxy-2-propyl acetate 531.97
    2-(2-methoxypropoxy) propanol 441.24
    mesitylene 281.86
    ε-caprolactone 645.47
    p-cymene 222.53
    epichlorohydrin 824.76
    1,1,1-trichloroethane 734.91
    2-aminoethanol 178.47
    morpholine-4-carbaldehyde 942.77
    sulfolane 840.57
    2,2,4-trimethylpentane 67.98
    2-methyltetrahydrofuran 797.27
    n-hexyl acetate 438.31
    isooctane 60.73
    2-(2-butoxyethoxy)ethanol 552.68
    sec-butyl acetate 262.08
    tert-butyl acetate 412.82
    decalin 105.57
    glycerin 245.76
    diglyme 950.16
    acrylic acid 297.7
    isopropyl myristate 214.78
    n-butyric acid 372.42
    acetyl acetate 445.87
    di(2-ethylhexyl) phthalate 183.77
    ethyl propionate 301.02
    nitromethane 686.42
    1,2-diethoxyethane 625.59
    benzonitrile 435.54
    trioctyl phosphate 129.64
    1-bromopropane 379.03
    gamma-valerolactone 1104.15
    n-decanol 186.23
    triethyl phosphate 180.19
    4-methyl-2-pentanol 173.21
    propionitrile 363.28
    vinylene carbonate 454.91
    1,1,2-trichlorotrifluoroethane 667.14
    DMS 393.29
    cumene 168.48
    2-octanol 163.79
    2-hexanone 387.68
    octyl acetate 260.39
    limonene 336.5
    1,2-dimethoxyethane 600.62
    ethyl orthosilicate 182.62
    tributyl phosphate 154.8
    diacetone alcohol 446.91
    N,N-dimethylaniline 336.91
    acrylonitrile 423.48
    aniline 501.8
    1,3-propanediol 243.18
    bromobenzene 649.6
    dibromomethane 642.49
    1,1,2,2-tetrachloroethane 841.48
    2-methyl-cyclohexyl acetate 312.12
    tetrabutyl urea 208.87
    diisobutyl methanol 185.78
    2-phenylethanol 379.07
    styrene 339.41
    dioctyl adipate 273.8
    dimethyl sulfate 370.25
    ethyl butyrate 357.64
    methyl lactate 265.87
    butyl lactate 248.04
    diethyl carbonate 233.92
    propanediol butyl ether 388.09
    triethyl orthoformate 278.35
    p-tert-butyltoluene 236.83
    methyl 4-tert-butylbenzoate 396.22
    morpholine 951.22
    tert-butylamine 238.68
    n-dodecanol 156.28
    dimethoxymethane 523.34
    ethylene carbonate 388.51
    cyrene 393.61
    2-ethoxyethyl acetate 493.68
    2-ethylhexyl acetate 341.17
    1,2,4-trichlorobenzene 605.17
    4-methylpyridine 780.4
    dibutyl ether 315.38
    2,6-dimethyl-4-heptanol 185.78
    DEF 542.96
    dimethyl isosorbide 645.17
    tetrachloroethylene 567.13
    eugenol 366.15
    triacetin 495.06
    span 80 409.57
    1,4-butanediol 135.74
    1,1-dichloroethane 625.0
    2-methyl-1-pentanol 209.48
    methyl formate 260.69
    2-methyl-1-butanol 244.1
    n-decane 77.41
    butyronitrile 342.71
    3,7-dimethyl-1-octanol 251.66
    1-chlorooctane 203.75
    1-chlorotetradecane 112.17
    n-nonane 76.54
    undecane 61.24
    tert-butylcyclohexane 88.0
    cyclooctane 113.29
    cyclopentanol 382.7
    tetrahydropyran 856.38
    tert-amyl methyl ether 365.93
    2,5,8-trioxanonane 709.58
    1-hexene 196.49
    2-isopropoxyethanol 334.35
    2,2,2-trifluoroethanol 191.26
    methyl butyrate 349.72

    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
Garlic (China) Allium sativum L., fam. Liliaceae 0.3%