(Z)-1-Propenyl sec-butyl disulfide

  • Identifiers

    Molecular formula
    C7H14S2

    SMILES
    CCC(C)SS/C=C\C

  • Odor profile

    Onion 77.88%
    Garlic 67.52%
    Sulfurous 63.29%
    Alliaceous 58.09%
    Savory 46.67%
    Cooked 43.23%
    Roasted 39.49%
    Pungent 36.99%
    Meaty 34.85%
    Vegetable 31.04%

    Scent© AI

  • Properties

    XLogP3-AA
    3.0

    Molecular weight
    162.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    208°C

    Flash point est.
    71.62 ˚C

  • Synonyms

    • (Z)-1-Propenyl sec-butyl disulfide
    • (z)-propenyl s-butyl disulfide
    • SCHEMBL3188729
    • (Z)-sec-Butyl propenyl disulfide
    • 2-Butyl cis-1-propenyl disulfide
    • IOVUOUZQSDBAQN-XQRVVYSFSA-N
    • sec-Butyl-(Z)-propenyl-disulfide
    • Disulfide, sec-butyl propenyl, (Z)-
    • Disulfide, 1-methylpropyl (1Z)-1-propenyl
    • Disulfide, 1-methylpropyl 1-propenyl, (Z)-
    • Disulfide, 1-methylpropyl (1Z)-1-propen-1-yl
    • (Z)-1-(sec-butyl)-2-(prop-1-en-1-yl)disulfane
    • Q67866064
  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 684.03
    methanol 305.89
    isopropanol 693.18
    water 0.03
    ethyl acetate 1566.79
    n-propanol 702.69
    acetone 2411.68
    n-butanol 818.74
    acetonitrile 961.13
    DMF 1820.69
    toluene 2022.37
    isobutanol 595.31
    1,4-dioxane 3381.43
    methyl acetate 1284.28
    THF 5438.9
    2-butanone 2098.28
    n-pentanol 535.78
    sec-butanol 773.72
    n-hexane 306.26
    ethylene glycol 56.29
    NMP 1950.66
    cyclohexane 1339.34
    DMSO 2107.24
    n-butyl acetate 2289.78
    n-octanol 524.12
    chloroform 3254.79
    n-propyl acetate 940.91
    acetic acid 471.37
    dichloromethane 2812.37
    cyclohexanone 4049.36
    propylene glycol 164.22
    isopropyl acetate 961.12
    DMAc 1383.82
    2-ethoxyethanol 584.49
    isopentanol 697.78
    n-heptane 667.69
    ethyl formate 693.97
    1,2-dichloroethane 1913.61
    n-hexanol 1155.25
    2-methoxyethanol 844.83
    isobutyl acetate 632.55
    tetrachloromethane 748.32
    n-pentyl acetate 948.49
    transcutol 2358.23
    n-heptanol 446.44
    ethylbenzene 658.52
    MIBK 939.75
    2-propoxyethanol 1230.35
    tert-butanol 1091.82
    MTBE 1538.08
    2-butoxyethanol 608.78
    propionic acid 469.28
    o-xylene 902.62
    formic acid 45.15
    diethyl ether 1808.58
    m-xylene 991.24
    p-xylene 837.33
    chlorobenzene 1656.47
    dimethyl carbonate 330.97
    n-octane 184.18
    formamide 116.52
    cyclopentanone 3646.48
    2-pentanone 1821.79
    anisole 1060.52
    cyclopentyl methyl ether 2418.99
    gamma-butyrolactone 2368.49
    1-methoxy-2-propanol 805.31
    pyridine 3129.38
    3-pentanone 1435.59
    furfural 1828.34
    n-dodecane 103.86
    diethylene glycol 481.03
    diisopropyl ether 644.1
    tert-amyl alcohol 882.9
    acetylacetone 1644.23
    n-hexadecane 126.83
    acetophenone 913.26
    methyl propionate 997.18
    isopentyl acetate 1560.09
    trichloroethylene 3509.18
    n-nonanol 449.21
    cyclohexanol 1489.45
    benzyl alcohol 626.15
    2-ethylhexanol 902.18
    isooctanol 370.22
    dipropyl ether 1669.55
    1,2-dichlorobenzene 1225.07
    ethyl lactate 268.91
    propylene carbonate 1276.19
    n-methylformamide 486.95
    2-pentanol 681.81
    n-pentane 356.04
    1-propoxy-2-propanol 1184.35
    1-methoxy-2-propyl acetate 1425.66
    2-(2-methoxypropoxy) propanol 635.43
    mesitylene 629.08
    ε-caprolactone 2382.1
    p-cymene 591.95
    epichlorohydrin 2589.93
    1,1,1-trichloroethane 2557.87
    2-aminoethanol 166.66
    morpholine-4-carbaldehyde 2043.28
    sulfolane 2689.34
    2,2,4-trimethylpentane 155.12
    2-methyltetrahydrofuran 3868.47
    n-hexyl acetate 1157.21
    isooctane 146.1
    2-(2-butoxyethoxy)ethanol 822.52
    sec-butyl acetate 662.7
    tert-butyl acetate 1146.51
    decalin 307.35
    glycerin 170.55
    diglyme 1703.17
    acrylic acid 338.66
    isopropyl myristate 510.62
    n-butyric acid 969.73
    acetyl acetate 825.38
    di(2-ethylhexyl) phthalate 373.64
    ethyl propionate 722.45
    nitromethane 1017.86
    1,2-diethoxyethane 1793.34
    benzonitrile 1262.63
    trioctyl phosphate 297.2
    1-bromopropane 1680.02
    gamma-valerolactone 3429.65
    n-decanol 332.33
    triethyl phosphate 445.8
    4-methyl-2-pentanol 381.4
    propionitrile 958.34
    vinylene carbonate 1039.22
    1,1,2-trichlorotrifluoroethane 1114.11
    DMS 707.0
    cumene 348.86
    2-octanol 381.51
    2-hexanone 1179.79
    octyl acetate 601.25
    limonene 1195.98
    1,2-dimethoxyethane 1624.01
    ethyl orthosilicate 479.13
    tributyl phosphate 377.65
    diacetone alcohol 942.05
    N,N-dimethylaniline 601.39
    acrylonitrile 895.24
    aniline 1172.02
    1,3-propanediol 352.37
    bromobenzene 2041.93
    dibromomethane 2168.21
    1,1,2,2-tetrachloroethane 2593.54
    2-methyl-cyclohexyl acetate 903.26
    tetrabutyl urea 540.8
    diisobutyl methanol 572.02
    2-phenylethanol 873.73
    styrene 930.9
    dioctyl adipate 612.75
    dimethyl sulfate 508.11
    ethyl butyrate 1325.11
    methyl lactate 311.51
    butyl lactate 547.57
    diethyl carbonate 684.59
    propanediol butyl ether 509.42
    triethyl orthoformate 873.67
    p-tert-butyltoluene 626.56
    methyl 4-tert-butylbenzoate 671.76
    morpholine 3501.61
    tert-butylamine 785.04
    n-dodecanol 269.02
    dimethoxymethane 1164.76
    ethylene carbonate 991.63
    cyrene 635.88
    2-ethoxyethyl acetate 1139.44
    2-ethylhexyl acetate 1411.37
    1,2,4-trichlorobenzene 1407.25
    4-methylpyridine 3083.33
    dibutyl ether 1118.89
    2,6-dimethyl-4-heptanol 572.02
    DEF 1575.82
    dimethyl isosorbide 1425.38
    tetrachloroethylene 1499.99
    eugenol 556.43
    triacetin 863.21
    span 80 729.99
    1,4-butanediol 152.42
    1,1-dichloroethane 2216.64
    2-methyl-1-pentanol 469.89
    methyl formate 431.2
    2-methyl-1-butanol 660.76
    n-decane 191.21
    butyronitrile 1320.86
    3,7-dimethyl-1-octanol 578.2
    1-chlorooctane 571.07
    1-chlorotetradecane 237.04
    n-nonane 221.33
    undecane 133.28
    tert-butylcyclohexane 240.04
    cyclooctane 456.46
    cyclopentanol 1225.14
    tetrahydropyran 4889.81
    tert-amyl methyl ether 1111.44
    2,5,8-trioxanonane 1121.82
    1-hexene 868.59
    2-isopropoxyethanol 505.06
    2,2,2-trifluoroethanol 123.78
    methyl butyrate 1016.23

    Scent© AI

1 of 4
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
Name CAS Botanical Proportion
Asafoetida (Iran) 2 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 3.9%
Asafoetida (Iran) 1 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 11.09%
Asafoetida headspace 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 18.5%