1,2-Dithiole

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  • Identifiers

    CAS number
    288-26-6

    Molecular formula
    C3H4S2

    SMILES
    C1C=CSS1

  • Odor profile

    Sulfurous 77.79%
    Garlic 56.15%
    Meaty 50.9%
    Onion 50.36%
    Roasted 46.02%
    Alliaceous 42.05%
    Mushroom 40.94%
    Cooked 36.1%
    Savory 33.31%
    Pungent 31.76%

    Scent© AI

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    2.71 (strong acid)

    Molecular weight
    104.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    141°C

    Flash point est.
    38.78 ˚C

  • Synonyms

    • 1,2-dithiole
    • 3H-dithiole
    • 1,2-Dithiolene
    • 3H-1,2-Dithiole
    • 1,2-Dithiacyclopentene
    • 288-26-6
    • 3H-1,2-dithiolene
    • 1,2-dithioles
    • NDY9U8RY64
    • SCHEMBL22568
    • CHEBI:48859
    • DTXSID901031881
    • Q18343387
    • Ref.: J.Agric. Food Chem., Vol. 46, #1, 1998, 220-223
    • 1,3-Dibicyclo[2.2.1]hepta-2,5-dien-2-yl-1,3-dichloro-1,3-bis[3-(trimethylsilyl)propyl]disiloxane

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 299.94
    methanol 276.17
    isopropanol 229.44
    water 4.84
    ethyl acetate 300.97
    n-propanol 253.86
    acetone 643.91
    n-butanol 242.71
    acetonitrile 321.04
    DMF 594.84
    toluene 309.54
    isobutanol 193.89
    1,4-dioxane 636.72
    methyl acetate 334.52
    THF 808.46
    2-butanone 484.34
    n-pentanol 201.59
    sec-butanol 226.61
    n-hexane 45.63
    ethylene glycol 151.44
    NMP 543.02
    cyclohexane 103.92
    DMSO 668.85
    n-butyl acetate 292.27
    n-octanol 167.69
    chloroform 662.11
    n-propyl acetate 235.31
    acetic acid 378.23
    dichloromethane 535.17
    cyclohexanone 510.66
    propylene glycol 199.77
    isopropyl acetate 201.2
    DMAc 489.35
    2-ethoxyethanol 379.09
    isopentanol 188.64
    n-heptane 92.77
    ethyl formate 188.29
    1,2-dichloroethane 359.35
    n-hexanol 252.07
    2-methoxyethanol 462.8
    isobutyl acetate 176.59
    tetrachloromethane 134.72
    n-pentyl acetate 190.75
    transcutol 1047.22
    n-heptanol 145.39
    ethylbenzene 131.22
    MIBK 233.52
    2-propoxyethanol 445.02
    tert-butanol 255.85
    MTBE 249.34
    2-butoxyethanol 286.67
    propionic acid 263.54
    o-xylene 197.39
    formic acid 146.57
    diethyl ether 319.89
    m-xylene 212.31
    p-xylene 156.03
    chlorobenzene 293.46
    dimethyl carbonate 169.76
    n-octane 32.26
    formamide 211.99
    cyclopentanone 627.57
    2-pentanone 388.34
    anisole 293.42
    cyclopentyl methyl ether 429.43
    gamma-butyrolactone 523.62
    1-methoxy-2-propanol 387.1
    pyridine 539.11
    3-pentanone 347.32
    furfural 527.84
    n-dodecane 29.45
    diethylene glycol 370.17
    diisopropyl ether 133.69
    tert-amyl alcohol 215.77
    acetylacetone 409.71
    n-hexadecane 33.03
    acetophenone 274.12
    methyl propionate 292.98
    isopentyl acetate 232.11
    trichloroethylene 680.85
    n-nonanol 150.04
    cyclohexanol 279.35
    benzyl alcohol 241.45
    2-ethylhexanol 179.7
    isooctanol 118.53
    dipropyl ether 302.77
    1,2-dichlorobenzene 244.28
    ethyl lactate 146.47
    propylene carbonate 277.02
    n-methylformamide 283.99
    2-pentanol 199.72
    n-pentane 64.01
    1-propoxy-2-propanol 386.54
    1-methoxy-2-propyl acetate 310.46
    2-(2-methoxypropoxy) propanol 297.6
    mesitylene 133.98
    ε-caprolactone 372.64
    p-cymene 130.14
    epichlorohydrin 592.29
    1,1,1-trichloroethane 379.41
    2-aminoethanol 219.26
    morpholine-4-carbaldehyde 621.0
    sulfolane 550.81
    2,2,4-trimethylpentane 38.48
    2-methyltetrahydrofuran 499.17
    n-hexyl acetate 239.22
    isooctane 35.56
    2-(2-butoxyethoxy)ethanol 388.09
    sec-butyl acetate 170.24
    tert-butyl acetate 224.09
    decalin 47.36
    glycerin 266.02
    diglyme 668.14
    acrylic acid 281.6
    isopropyl myristate 123.96
    n-butyric acid 279.65
    acetyl acetate 219.72
    di(2-ethylhexyl) phthalate 115.14
    ethyl propionate 202.04
    nitromethane 506.09
    1,2-diethoxyethane 413.11
    benzonitrile 253.92
    trioctyl phosphate 85.32
    1-bromopropane 261.54
    gamma-valerolactone 684.59
    n-decanol 118.74
    triethyl phosphate 114.54
    4-methyl-2-pentanol 124.13
    propionitrile 257.68
    vinylene carbonate 266.43
    1,1,2-trichlorotrifluoroethane 467.09
    DMS 193.6
    cumene 93.62
    2-octanol 104.77
    2-hexanone 280.64
    octyl acetate 154.28
    limonene 189.46
    1,2-dimethoxyethane 470.72
    ethyl orthosilicate 119.92
    tributyl phosphate 96.73
    diacetone alcohol 278.83
    N,N-dimethylaniline 201.44
    acrylonitrile 301.26
    aniline 326.73
    1,3-propanediol 236.74
    bromobenzene 306.88
    dibromomethane 399.77
    1,1,2,2-tetrachloroethane 493.66
    2-methyl-cyclohexyl acetate 191.97
    tetrabutyl urea 149.06
    diisobutyl methanol 123.62
    2-phenylethanol 251.29
    styrene 176.56
    dioctyl adipate 170.31
    dimethyl sulfate 244.85
    ethyl butyrate 234.93
    methyl lactate 191.26
    butyl lactate 160.17
    diethyl carbonate 147.92
    propanediol butyl ether 303.09
    triethyl orthoformate 189.36
    p-tert-butyltoluene 128.64
    methyl 4-tert-butylbenzoate 220.62
    morpholine 625.84
    tert-butylamine 178.95
    n-dodecanol 103.76
    dimethoxymethane 394.2
    ethylene carbonate 223.99
    cyrene 279.5
    2-ethoxyethyl acetate 285.88
    2-ethylhexyl acetate 201.98
    1,2,4-trichlorobenzene 311.13
    4-methylpyridine 411.31
    dibutyl ether 203.99
    2,6-dimethyl-4-heptanol 123.62
    DEF 341.97
    dimethyl isosorbide 409.75
    tetrachloroethylene 331.68
    eugenol 237.25
    triacetin 268.51
    span 80 280.35
    1,4-butanediol 151.55
    1,1-dichloroethane 372.83
    2-methyl-1-pentanol 160.43
    methyl formate 224.34
    2-methyl-1-butanol 191.53
    n-decane 43.63
    butyronitrile 238.93
    3,7-dimethyl-1-octanol 156.32
    1-chlorooctane 119.84
    1-chlorotetradecane 63.31
    n-nonane 43.44
    undecane 34.31
    tert-butylcyclohexane 43.51
    cyclooctane 52.29
    cyclopentanol 306.61
    tetrahydropyran 542.92
    tert-amyl methyl ether 212.45
    2,5,8-trioxanonane 506.49
    1-hexene 119.88
    2-isopropoxyethanol 295.21
    2,2,2-trifluoroethanol 177.97
    methyl butyrate 227.68

    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 2 8008-99-9 Allium sativum L., fam. Liliaceae 1.1%
Garlic (China) Allium sativum L., fam. Liliaceae 0.35%