Disulfide, di-1-propenyl

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  • Identifiers

    CAS number
    23838-23-5

    Molecular formula
    C6H10S2

    SMILES
    C/C=C/SS/C=C/C

    Retention indicies (RI)

    • DB5: 1102.0

  • Odor profile

    Onion 81.41%
    Garlic 75.95%
    Sulfurous 64.86%
    Alliaceous 56.14%
    Pungent 53.53%
    Savory 42.64%
    Cooked 42.27%
    Roasted 36.48%
    Radish 28.86%
    Fresh 25.26%

    Scent© AI

  • Properties

    XLogP3-AA
    2.4

    Molecular weight
    146.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    201°C

    Flash point est.
    72.14 ˚C

  • Synonyms

    • Disulfide, di-1-propenyl
    • trans-Dipropenyl disulfide
    • 53925-82-9
    • dipropenyl disulfide
    • transpropenyldisulfide
    • (E,E)-Propenyl disulfide
    • Propenyl disulfide, (E,E)-
    • SCHEMBL776480
    • SCHEMBL9609156
    • Di(trans-1-propenyl) disulfide
    • Disulfide, di-(1E)-1-propenyl
    • FHSDVOJKLYJNCQ-GGWOSOGESA-N
    • trans-bis-(1-Propenyl) disulfide
    • DTXSID101304935
    • Di-(1E)-1-propen-1-yl disulfide
    • Disulfide, di-1-propenyl, (E,E)-
    • Disulfide, di-(1E)-1-propen-1-yl
    • 1,2-Di((E)-prop-1-en-1-yl)disulfane
    • 23838-23-5

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 250.39
    methanol 156.51
    isopropanol 266.29
    water 0.05
    ethyl acetate 917.22
    n-propanol 271.16
    acetone 1731.81
    n-butanol 320.64
    acetonitrile 664.72
    DMF 2146.24
    toluene 1384.7
    isobutanol 255.69
    1,4-dioxane 2062.9
    methyl acetate 835.41
    THF 3897.69
    2-butanone 1154.4
    n-pentanol 206.04
    sec-butanol 272.28
    n-hexane 315.77
    ethylene glycol 48.77
    NMP 3033.2
    cyclohexane 1331.08
    DMSO 1902.68
    n-butyl acetate 1187.51
    n-octanol 268.51
    chloroform 2736.61
    n-propyl acetate 592.88
    acetic acid 383.91
    dichloromethane 2334.09
    cyclohexanone 3190.84
    propylene glycol 89.91
    isopropyl acetate 634.3
    DMAc 1462.18
    2-ethoxyethanol 283.24
    isopentanol 307.04
    n-heptane 539.25
    ethyl formate 502.23
    1,2-dichloroethane 1685.01
    n-hexanol 414.05
    2-methoxyethanol 524.75
    isobutyl acetate 419.38
    tetrachloromethane 715.1
    n-pentyl acetate 594.95
    transcutol 1155.08
    n-heptanol 207.84
    ethylbenzene 530.1
    MIBK 658.05
    2-propoxyethanol 545.9
    tert-butanol 454.83
    MTBE 774.58
    2-butoxyethanol 320.76
    propionic acid 332.22
    o-xylene 743.06
    formic acid 44.98
    diethyl ether 915.74
    m-xylene 769.67
    p-xylene 668.37
    chlorobenzene 1470.08
    dimethyl carbonate 425.17
    n-octane 181.29
    formamide 116.6
    cyclopentanone 3755.64
    2-pentanone 1159.89
    anisole 833.91
    cyclopentyl methyl ether 1948.85
    gamma-butyrolactone 2730.4
    1-methoxy-2-propanol 447.65
    pyridine 2160.3
    3-pentanone 1039.53
    furfural 2109.37
    n-dodecane 111.99
    diethylene glycol 278.69
    diisopropyl ether 407.69
    tert-amyl alcohol 383.2
    acetylacetone 1445.57
    n-hexadecane 135.66
    acetophenone 814.38
    methyl propionate 751.4
    isopentyl acetate 917.17
    trichloroethylene 3132.44
    n-nonanol 258.21
    cyclohexanol 788.89
    benzyl alcohol 401.7
    2-ethylhexanol 435.64
    isooctanol 189.06
    dipropyl ether 1048.38
    1,2-dichlorobenzene 1305.84
    ethyl lactate 219.1
    propylene carbonate 1341.16
    n-methylformamide 486.89
    2-pentanol 290.66
    n-pentane 297.42
    1-propoxy-2-propanol 606.17
    1-methoxy-2-propyl acetate 870.59
    2-(2-methoxypropoxy) propanol 398.0
    mesitylene 580.69
    ε-caprolactone 1793.78
    p-cymene 489.29
    epichlorohydrin 2163.7
    1,1,1-trichloroethane 2256.53
    2-aminoethanol 94.98
    morpholine-4-carbaldehyde 2020.33
    sulfolane 3650.14
    2,2,4-trimethylpentane 127.19
    2-methyltetrahydrofuran 2464.55
    n-hexyl acetate 751.32
    isooctane 128.82
    2-(2-butoxyethoxy)ethanol 497.83
    sec-butyl acetate 437.18
    tert-butyl acetate 827.58
    decalin 361.14
    glycerin 125.67
    diglyme 1154.59
    acrylic acid 314.56
    isopropyl myristate 390.89
    n-butyric acid 622.09
    acetyl acetate 675.74
    di(2-ethylhexyl) phthalate 294.06
    ethyl propionate 546.65
    nitromethane 1068.22
    1,2-diethoxyethane 1003.41
    benzonitrile 1007.56
    trioctyl phosphate 229.06
    1-bromopropane 1158.68
    gamma-valerolactone 3030.18
    n-decanol 210.12
    triethyl phosphate 399.32
    4-methyl-2-pentanol 183.11
    propionitrile 590.22
    vinylene carbonate 1106.29
    1,1,2-trichlorotrifluoroethane 1073.14
    DMS 636.74
    cumene 319.53
    2-octanol 190.11
    2-hexanone 679.98
    octyl acetate 440.14
    limonene 938.25
    1,2-dimethoxyethane 1004.6
    ethyl orthosilicate 390.49
    tributyl phosphate 297.34
    diacetone alcohol 621.54
    N,N-dimethylaniline 586.49
    acrylonitrile 695.89
    aniline 793.08
    1,3-propanediol 183.09
    bromobenzene 1924.09
    dibromomethane 1784.78
    1,1,2,2-tetrachloroethane 2520.08
    2-methyl-cyclohexyl acetate 715.44
    tetrabutyl urea 482.31
    diisobutyl methanol 350.48
    2-phenylethanol 501.29
    styrene 767.15
    dioctyl adipate 519.91
    dimethyl sulfate 790.49
    ethyl butyrate 873.18
    methyl lactate 296.61
    butyl lactate 351.11
    diethyl carbonate 530.2
    propanediol butyl ether 269.86
    triethyl orthoformate 618.81
    p-tert-butyltoluene 507.83
    methyl 4-tert-butylbenzoate 565.98
    morpholine 1851.57
    tert-butylamine 345.07
    n-dodecanol 187.1
    dimethoxymethane 1059.16
    ethylene carbonate 957.02
    cyrene 535.15
    2-ethoxyethyl acetate 667.4
    2-ethylhexyl acetate 852.98
    1,2,4-trichlorobenzene 1397.8
    4-methylpyridine 2156.64
    dibutyl ether 785.63
    2,6-dimethyl-4-heptanol 350.48
    DEF 1269.87
    dimethyl isosorbide 1136.28
    tetrachloroethylene 1530.92
    eugenol 424.75
    triacetin 646.06
    span 80 480.08
    1,4-butanediol 83.4
    1,1-dichloroethane 1613.03
    2-methyl-1-pentanol 210.48
    methyl formate 512.09
    2-methyl-1-butanol 286.45
    n-decane 187.06
    butyronitrile 718.7
    3,7-dimethyl-1-octanol 330.73
    1-chlorooctane 453.39
    1-chlorotetradecane 227.45
    n-nonane 213.71
    undecane 137.57
    tert-butylcyclohexane 261.41
    cyclooctane 531.72
    cyclopentanol 839.91
    tetrahydropyran 2567.1
    tert-amyl methyl ether 660.77
    2,5,8-trioxanonane 790.53
    1-hexene 514.13
    2-isopropoxyethanol 251.45
    2,2,2-trifluoroethanol 144.98
    methyl butyrate 761.29

    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
Adenocalymma alliaceum (Brazil) 1a leaf Adenocalymma alliaceum Miers, fam. Bignoniaceae 0.1%
Asafoetida (Pakistan) 2 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 0.01%