Zwiebelane A

Overview IFRA Request a quote

  • Identifiers

    CAS number
    120637-81-2

    Molecular formula
    C6H10OS2

    SMILES
    C[C@@H]1[C@@H]([C@@H]2S[C@H]1S2=O)C

    Safety labels

  • Odor profile

    Fragrance
    Meaty 54.94%
    Roasted 54.74%
    Sulfurous 38.66%
    Cooked 36.96%
    Nutty 35.91%
    Onion 32.5%
    Savory 30.45%
    Beefy 28.33%
    Burnt 26.23%
    Odorless 24.41%

     

    Flavor
    Bitter 51.88%
    Roasted 23.71%
    Cedarleaf 20.82%
    Nitrile 20.13%
    Alkaline 20.09%
    Taco 20.01%
    Bouillon 19.98%
    Shrimp 19.71%
    Scallion 19.36%
    Cereal 19.35%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    5.48 (weak acid)

    Molecular weight
    162.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    301°C

    Flash point

    • 144.15 ˚C est.

  • Synonyms

    • Zwiebelane A
    • RefChem:196284
    • cis-2,3-dimethyl-5,6-dithiabicyclo(2.1.1)hexane 5-oxide
    • 120637-81-2
    • SCHEMBL7031916
    • (1R,2S,3R,4S)-2,3-Dimethyl-5lambda4,6-dithiabicyclo[2.1.1]hexane 5-oxide
    • 120637-81-2

  • Applications

    Zwiebelane A (CAS 120637-81-2) is considered for several applications across industries: as an odorant/fragrance ingredient in perfumery; may serve as a fragrance component in cosmetics/personal care; can be used in household products as a scent additive; may function as an additive or processing aid in coatings and inks; may be evaluated as an intermediate or functional additive in polymer/plastics formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 144.06
    methanol 251.56
    isopropanol 94.08
    water 133.36
    ethyl acetate 96.32
    n-propanol 102.99
    acetone 209.75
    n-butanol 78.72
    acetonitrile 148.48
    DMF 292.86
    toluene 29.33
    isobutanol 66.29
    1,4-dioxane 281.19
    methyl acetate 132.19
    THF 278.5
    2-butanone 112.78
    n-pentanol 48.32
    sec-butanol 65.76
    n-hexane 2.99
    ethylene glycol 198.68
    NMP 330.96
    cyclohexane 11.34
    DMSO 325.75
    n-butyl acetate 76.18
    n-octanol 55.65
    chloroform 487.56
    n-propyl acetate 64.98
    acetic acid 327.84
    dichloromethane 306.97
    cyclohexanone 207.61
    propylene glycol 144.41
    isopropyl acetate 72.47
    DMAc 189.42
    2-ethoxyethanol 147.05
    isopentanol 60.26
    n-heptane 5.71
    ethyl formate 125.76
    1,2-dichloroethane 175.18
    n-hexanol 67.72
    2-methoxyethanol 299.85
    isobutyl acetate 42.72
    tetrachloromethane 96.24
    n-pentyl acetate 75.68
    transcutol 440.78
    n-heptanol 62.75
    ethylbenzene 21.73
    MIBK 66.15
    2-propoxyethanol 176.66
    tert-butanol 92.36
    MTBE 38.21
    2-butoxyethanol 157.43
    propionic acid 173.3
    o-xylene 32.22
    formic acid 388.82
    diethyl ether 47.21
    m-xylene 30.08
    p-xylene 40.33
    chlorobenzene 110.48
    dimethyl carbonate 75.14
    n-octane 3.99
    formamide 558.69
    cyclopentanone 310.33
    2-pentanone 85.59
    anisole 76.33
    cyclopentyl methyl ether 86.19
    gamma-butyrolactone 406.82
    1-methoxy-2-propanol 200.31
    pyridine 197.1
    3-pentanone 63.95
    furfural 492.29
    n-dodecane 4.36
    diethylene glycol 253.5
    diisopropyl ether 20.27
    tert-amyl alcohol 60.71
    acetylacetone 181.2
    n-hexadecane 5.05
    acetophenone 103.34
    methyl propionate 88.44
    isopentyl acetate 68.58
    trichloroethylene 441.25
    n-nonanol 51.5
    cyclohexanol 83.63
    benzyl alcohol 89.25
    2-ethylhexanol 41.72
    isooctanol 48.47
    dipropyl ether 34.33
    1,2-dichlorobenzene 142.11
    ethyl lactate 75.64
    propylene carbonate 231.67
    n-methylformamide 277.34
    2-pentanol 49.38
    n-pentane 4.65
    1-propoxy-2-propanol 119.5
    1-methoxy-2-propyl acetate 117.87
    2-(2-methoxypropoxy) propanol 133.49
    mesitylene 25.41
    ε-caprolactone 195.47
    p-cymene 28.98
    epichlorohydrin 327.33
    1,1,1-trichloroethane 197.09
    2-aminoethanol 203.13
    morpholine-4-carbaldehyde 376.59
    sulfolane 487.1
    2,2,4-trimethylpentane 3.47
    2-methyltetrahydrofuran 140.85
    n-hexyl acetate 99.81
    isooctane 3.59
    2-(2-butoxyethoxy)ethanol 180.86
    sec-butyl acetate 44.27
    tert-butyl acetate 77.99
    decalin 6.23
    glycerin 280.61
    diglyme 344.83
    acrylic acid 230.3
    isopropyl myristate 40.51
    n-butyric acid 153.06
    acetyl acetate 113.52
    di(2-ethylhexyl) phthalate 55.53
    ethyl propionate 55.69
    nitromethane 578.49
    1,2-diethoxyethane 91.39
    benzonitrile 138.68
    trioctyl phosphate 43.01
    1-bromopropane 48.33
    gamma-valerolactone 449.28
    n-decanol 38.91
    triethyl phosphate 47.19
    4-methyl-2-pentanol 35.97
    propionitrile 85.2
    vinylene carbonate 257.53
    1,1,2-trichlorotrifluoroethane 410.71
    DMS 110.74
    cumene 21.27
    2-octanol 42.79
    2-hexanone 58.17
    octyl acetate 55.1
    limonene 35.4
    1,2-dimethoxyethane 175.14
    ethyl orthosilicate 42.7
    tributyl phosphate 46.59
    diacetone alcohol 124.81
    N,N-dimethylaniline 55.14
    acrylonitrile 160.58
    aniline 91.44
    1,3-propanediol 192.54
    bromobenzene 95.31
    dibromomethane 176.49
    1,1,2,2-tetrachloroethane 334.41
    2-methyl-cyclohexyl acetate 69.84
    tetrabutyl urea 60.38
    diisobutyl methanol 30.36
    2-phenylethanol 107.89
    styrene 25.72
    dioctyl adipate 62.6
    dimethyl sulfate 159.69
    ethyl butyrate 63.05
    methyl lactate 124.48
    butyl lactate 96.26
    diethyl carbonate 54.24
    propanediol butyl ether 163.22
    triethyl orthoformate 53.94
    p-tert-butyltoluene 27.68
    methyl 4-tert-butylbenzoate 123.14
    morpholine 234.79
    tert-butylamine 49.5
    n-dodecanol 29.54
    dimethoxymethane 164.37
    ethylene carbonate 185.37
    cyrene 156.12
    2-ethoxyethyl acetate 127.26
    2-ethylhexyl acetate 53.67
    1,2,4-trichlorobenzene 179.35
    4-methylpyridine 134.61
    dibutyl ether 36.61
    2,6-dimethyl-4-heptanol 30.36
    DEF 99.57
    dimethyl isosorbide 223.18
    tetrachloroethylene 283.63
    eugenol 155.05
    triacetin 143.33
    span 80 129.13
    1,4-butanediol 88.83
    1,1-dichloroethane 154.94
    2-methyl-1-pentanol 38.99
    methyl formate 234.8
    2-methyl-1-butanol 51.56
    n-decane 6.58
    butyronitrile 73.29
    3,7-dimethyl-1-octanol 43.49
    1-chlorooctane 29.4
    1-chlorotetradecane 13.4
    n-nonane 5.65
    undecane 5.25
    tert-butylcyclohexane 5.0
    cyclooctane 4.4
    cyclopentanol 133.6
    tetrahydropyran 116.66
    tert-amyl methyl ether 30.85
    2,5,8-trioxanonane 234.16
    1-hexene 10.0
    2-isopropoxyethanol 94.39
    2,2,2-trifluoroethanol 315.28
    methyl butyrate 77.62

    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