2-(But-2-en-2-yldisulfanyl)but-2-ene

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C8H14S2

    SMILES
    CC=C(C)SSC(=CC)C

  • Odor profile

    Onion 69.02%
    Sulfurous 68.32%
    Garlic 56.37%
    Meaty 52.79%
    Alliaceous 50.0%
    Savory 43.49%
    Roasted 43.09%
    Cooked 37.37%
    Vegetable 31.25%
    Pungent 27.76%

    Scent© AI

  • Properties

    XLogP3-AA
    3.1

    Molecular weight
    174.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    206°C

    Flash point est.
    81.0 ˚C

  • Synonyms

    • SCHEMBL5423192

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 88.73
    methanol 40.09
    isopropanol 123.43
    water 0.03
    ethyl acetate 598.26
    n-propanol 116.8
    acetone 965.67
    n-butanol 131.66
    acetonitrile 366.15
    DMF 1220.61
    toluene 866.36
    isobutanol 115.83
    1,4-dioxane 1366.75
    methyl acetate 694.16
    THF 2170.03
    2-butanone 908.76
    n-pentanol 108.08
    sec-butanol 166.4
    n-hexane 84.19
    ethylene glycol 12.25
    NMP 1687.28
    cyclohexane 326.78
    DMSO 654.51
    n-butyl acetate 719.23
    n-octanol 180.04
    chloroform 1623.11
    n-propyl acetate 421.05
    acetic acid 136.97
    dichloromethane 1371.13
    cyclohexanone 1803.57
    propylene glycol 32.57
    isopropyl acetate 431.86
    DMAc 1316.21
    2-ethoxyethanol 170.15
    isopentanol 134.9
    n-heptane 159.12
    ethyl formate 305.98
    1,2-dichloroethane 889.65
    n-hexanol 202.98
    2-methoxyethanol 244.64
    isobutyl acetate 281.37
    tetrachloromethane 360.96
    n-pentyl acetate 457.01
    transcutol 631.52
    n-heptanol 132.58
    ethylbenzene 427.26
    MIBK 418.67
    2-propoxyethanol 313.7
    tert-butanol 247.68
    MTBE 509.04
    2-butoxyethanol 201.85
    propionic acid 152.42
    o-xylene 556.7
    formic acid 13.06
    diethyl ether 450.47
    m-xylene 486.09
    p-xylene 600.0
    chlorobenzene 988.48
    dimethyl carbonate 243.67
    n-octane 77.31
    formamide 51.26
    cyclopentanone 2208.88
    2-pentanone 658.76
    anisole 781.99
    cyclopentyl methyl ether 954.78
    gamma-butyrolactone 1546.1
    1-methoxy-2-propanol 251.72
    pyridine 1463.06
    3-pentanone 682.53
    furfural 1257.78
    n-dodecane 58.94
    diethylene glycol 109.77
    diisopropyl ether 214.15
    tert-amyl alcohol 255.66
    acetylacetone 915.37
    n-hexadecane 72.35
    acetophenone 745.26
    methyl propionate 509.07
    isopentyl acetate 585.42
    trichloroethylene 2085.05
    n-nonanol 180.25
    cyclohexanol 325.56
    benzyl alcohol 326.09
    2-ethylhexanol 236.66
    isooctanol 126.42
    dipropyl ether 500.41
    1,2-dichlorobenzene 940.83
    ethyl lactate 133.82
    propylene carbonate 796.45
    n-methylformamide 246.71
    2-pentanol 130.35
    n-pentane 68.82
    1-propoxy-2-propanol 341.29
    1-methoxy-2-propyl acetate 611.86
    2-(2-methoxypropoxy) propanol 327.8
    mesitylene 342.29
    ε-caprolactone 1143.9
    p-cymene 334.74
    epichlorohydrin 1455.69
    1,1,1-trichloroethane 1449.0
    2-aminoethanol 34.29
    morpholine-4-carbaldehyde 1242.75
    sulfolane 1783.86
    2,2,4-trimethylpentane 56.3
    2-methyltetrahydrofuran 1469.67
    n-hexyl acetate 566.5
    isooctane 45.87
    2-(2-butoxyethoxy)ethanol 334.47
    sec-butyl acetate 324.56
    tert-butyl acetate 565.44
    decalin 147.77
    glycerin 41.89
    diglyme 760.35
    acrylic acid 132.28
    isopropyl myristate 308.7
    n-butyric acid 254.01
    acetyl acetate 490.05
    di(2-ethylhexyl) phthalate 229.09
    ethyl propionate 402.88
    nitromethane 551.94
    1,2-diethoxyethane 615.84
    benzonitrile 735.71
    trioctyl phosphate 161.44
    1-bromopropane 571.47
    gamma-valerolactone 1794.57
    n-decanol 142.82
    triethyl phosphate 291.54
    4-methyl-2-pentanol 96.0
    propionitrile 349.12
    vinylene carbonate 683.92
    1,1,2-trichlorotrifluoroethane 667.77
    DMS 550.71
    cumene 257.54
    2-octanol 134.84
    2-hexanone 529.8
    octyl acetate 344.44
    limonene 527.61
    1,2-dimethoxyethane 720.23
    ethyl orthosilicate 281.01
    tributyl phosphate 209.46
    diacetone alcohol 410.22
    N,N-dimethylaniline 531.61
    acrylonitrile 410.26
    aniline 463.62
    1,3-propanediol 70.83
    bromobenzene 1294.83
    dibromomethane 916.73
    1,1,2,2-tetrachloroethane 1564.46
    2-methyl-cyclohexyl acetate 513.37
    tetrabutyl urea 339.9
    diisobutyl methanol 184.14
    2-phenylethanol 387.09
    styrene 561.24
    dioctyl adipate 394.08
    dimethyl sulfate 493.25
    ethyl butyrate 562.64
    methyl lactate 161.03
    butyl lactate 241.77
    diethyl carbonate 373.74
    propanediol butyl ether 170.0
    triethyl orthoformate 419.25
    p-tert-butyltoluene 351.94
    methyl 4-tert-butylbenzoate 520.09
    morpholine 1146.56
    tert-butylamine 172.59
    n-dodecanol 121.18
    dimethoxymethane 546.38
    ethylene carbonate 541.81
    cyrene 439.01
    2-ethoxyethyl acetate 566.63
    2-ethylhexyl acetate 578.63
    1,2,4-trichlorobenzene 1192.16
    4-methylpyridine 1530.81
    dibutyl ether 456.97
    2,6-dimethyl-4-heptanol 184.14
    DEF 768.79
    dimethyl isosorbide 909.69
    tetrachloroethylene 820.38
    eugenol 386.21
    triacetin 570.1
    span 80 322.52
    1,4-butanediol 32.78
    1,1-dichloroethane 1018.86
    2-methyl-1-pentanol 123.45
    methyl formate 238.56
    2-methyl-1-butanol 140.52
    n-decane 98.24
    butyronitrile 364.25
    3,7-dimethyl-1-octanol 222.63
    1-chlorooctane 283.1
    1-chlorotetradecane 135.02
    n-nonane 99.3
    undecane 73.21
    tert-butylcyclohexane 120.38
    cyclooctane 137.74
    cyclopentanol 369.88
    tetrahydropyran 1340.44
    tert-amyl methyl ether 441.97
    2,5,8-trioxanonane 570.09
    1-hexene 220.14
    2-isopropoxyethanol 159.33
    2,2,2-trifluoroethanol 68.01
    methyl butyrate 531.9

    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
Asafoetida (Iran) 2 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 1.2%