Methyl 2-propenyl pentasulfide

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  • Identifiers

    CAS number
    118023-99-7

    Molecular formula
    C4H8S5

    SMILES
    CSSSSSCC=C

  • Odor profile

    Onion 88.22%
    Sulfurous 87.36%
    Garlic 84.96%
    Alliaceous 70.82%
    Roasted 61.77%
    Savory 59.07%
    Cooked 56.15%
    Pungent 52.33%
    Meaty 40.5%
    Cabbage 32.18%

    Scent© AI

  • Properties

    XLogP3-AA
    2.9

    Molecular weight
    216.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    332°C

    Flash point est.
    160.83 ˚C

  • Synonyms

    • Methyl 2-propenyl pentasulfide
    • methyl allyl pentasulfide
    • 3-(methylpentasulfanyl)prop-1-ene
    • 4PLB8N7XQE
    • 118023-99-7
    • Methyl 2-propen-1-yl pentasulfide
    • UNII-4PLB8N7XQE
    • Pentasulfide, methyl 2-propenyl
    • Allyl methyl pentasulfide
    • SCHEMBL2928674
    • DTXSID40336052
    • 3-(methylpentasulanyl)prop-1-ene
    • BFVOYECMMKLFQJ-UHFFFAOYSA-N
    • CHEBI:173614
    • 1-METHYL-5-(PROP-2-EN-1-YL)PENTASULFANE

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 163.28
    methanol 112.83
    isopropanol 157.27
    water 0.04
    ethyl acetate 724.11
    n-propanol 162.77
    acetone 1315.3
    n-butanol 196.1
    acetonitrile 433.8
    DMF 2266.73
    toluene 1312.78
    isobutanol 153.44
    1,4-dioxane 1778.27
    methyl acetate 709.61
    THF 3050.57
    2-butanone 1005.65
    n-pentanol 175.8
    sec-butanol 180.83
    n-hexane 84.64
    ethylene glycol 40.73
    NMP 2488.15
    cyclohexane 351.68
    DMSO 1680.27
    n-butyl acetate 794.52
    n-octanol 212.65
    chloroform 1465.33
    n-propyl acetate 534.12
    acetic acid 282.92
    dichloromethane 1447.3
    cyclohexanone 2321.72
    propylene glycol 81.78
    isopropyl acetate 495.98
    DMAc 1744.07
    2-ethoxyethanol 360.29
    isopentanol 198.88
    n-heptane 147.99
    ethyl formate 432.77
    1,2-dichloroethane 1059.05
    n-hexanol 269.53
    2-methoxyethanol 551.66
    isobutyl acetate 384.43
    tetrachloromethane 247.58
    n-pentyl acetate 522.0
    transcutol 1496.85
    n-heptanol 151.35
    ethylbenzene 448.62
    MIBK 579.45
    2-propoxyethanol 505.07
    tert-butanol 264.48
    MTBE 575.9
    2-butoxyethanol 308.82
    propionic acid 210.61
    o-xylene 612.41
    formic acid 49.06
    diethyl ether 518.64
    m-xylene 688.28
    p-xylene 550.04
    chlorobenzene 1198.85
    dimethyl carbonate 386.85
    n-octane 72.38
    formamide 139.14
    cyclopentanone 2753.39
    2-pentanone 897.39
    anisole 981.5
    cyclopentyl methyl ether 1452.05
    gamma-butyrolactone 1897.54
    1-methoxy-2-propanol 425.32
    pyridine 2149.8
    3-pentanone 766.17
    furfural 2211.46
    n-dodecane 59.95
    diethylene glycol 288.65
    diisopropyl ether 254.65
    tert-amyl alcohol 270.36
    acetylacetone 1442.13
    n-hexadecane 71.78
    acetophenone 975.08
    methyl propionate 645.72
    isopentyl acetate 699.85
    trichloroethylene 2624.54
    n-nonanol 208.17
    cyclohexanol 489.98
    benzyl alcohol 518.45
    2-ethylhexanol 284.12
    isooctanol 141.99
    dipropyl ether 505.8
    1,2-dichlorobenzene 979.57
    ethyl lactate 193.37
    propylene carbonate 989.93
    n-methylformamide 461.25
    2-pentanol 175.74
    n-pentane 87.45
    1-propoxy-2-propanol 491.13
    1-methoxy-2-propyl acetate 819.3
    2-(2-methoxypropoxy) propanol 448.09
    mesitylene 424.32
    ε-caprolactone 1409.27
    p-cymene 332.94
    epichlorohydrin 2060.04
    1,1,1-trichloroethane 1164.94
    2-aminoethanol 80.68
    morpholine-4-carbaldehyde 2385.73
    sulfolane 2447.93
    2,2,4-trimethylpentane 66.26
    2-methyltetrahydrofuran 1702.92
    n-hexyl acetate 630.02
    isooctane 60.36
    2-(2-butoxyethoxy)ethanol 577.85
    sec-butyl acetate 396.12
    tert-butyl acetate 728.74
    decalin 171.05
    glycerin 119.17
    diglyme 1302.8
    acrylic acid 231.19
    isopropyl myristate 325.56
    n-butyric acid 349.66
    acetyl acetate 602.07
    di(2-ethylhexyl) phthalate 271.97
    ethyl propionate 444.82
    nitromethane 983.05
    1,2-diethoxyethane 944.89
    benzonitrile 983.36
    trioctyl phosphate 180.83
    1-bromopropane 553.57
    gamma-valerolactone 3089.32
    n-decanol 170.08
    triethyl phosphate 290.82
    4-methyl-2-pentanol 136.36
    propionitrile 314.99
    vinylene carbonate 901.26
    1,1,2-trichlorotrifluoroethane 1041.69
    DMS 639.21
    cumene 257.06
    2-octanol 148.33
    2-hexanone 643.47
    octyl acetate 365.1
    limonene 563.66
    1,2-dimethoxyethane 1193.24
    ethyl orthosilicate 295.62
    tributyl phosphate 257.3
    diacetone alcohol 606.14
    N,N-dimethylaniline 621.4
    acrylonitrile 461.32
    aniline 774.04
    1,3-propanediol 146.95
    bromobenzene 1493.71
    dibromomethane 909.69
    1,1,2,2-tetrachloroethane 1696.32
    2-methyl-cyclohexyl acetate 554.41
    tetrabutyl urea 423.6
    diisobutyl methanol 219.75
    2-phenylethanol 531.06
    styrene 678.65
    dioctyl adipate 453.8
    dimethyl sulfate 677.07
    ethyl butyrate 600.25
    methyl lactate 260.51
    butyl lactate 326.03
    diethyl carbonate 367.69
    propanediol butyl ether 326.71
    triethyl orthoformate 458.0
    p-tert-butyltoluene 359.2
    methyl 4-tert-butylbenzoate 569.3
    morpholine 1666.86
    tert-butylamine 180.18
    n-dodecanol 147.02
    dimethoxymethane 1079.13
    ethylene carbonate 663.74
    cyrene 636.19
    2-ethoxyethyl acetate 785.49
    2-ethylhexyl acetate 658.23
    1,2,4-trichlorobenzene 1211.71
    4-methylpyridine 2176.53
    dibutyl ether 520.71
    2,6-dimethyl-4-heptanol 219.75
    DEF 1068.73
    dimethyl isosorbide 1186.05
    tetrachloroethylene 905.06
    eugenol 510.68
    triacetin 650.86
    span 80 449.51
    1,4-butanediol 86.04
    1,1-dichloroethane 877.15
    2-methyl-1-pentanol 192.59
    methyl formate 505.35
    2-methyl-1-butanol 193.54
    n-decane 91.82
    butyronitrile 406.07
    3,7-dimethyl-1-octanol 267.03
    1-chlorooctane 288.17
    1-chlorotetradecane 144.94
    n-nonane 92.2
    undecane 71.71
    tert-butylcyclohexane 130.15
    cyclooctane 176.35
    cyclopentanol 475.24
    tetrahydropyran 1634.66
    tert-amyl methyl ether 545.45
    2,5,8-trioxanonane 903.35
    1-hexene 222.53
    2-isopropoxyethanol 293.77
    2,2,2-trifluoroethanol 111.89
    methyl butyrate 627.09

    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 (China) Allium sativum L., fam. Liliaceae 0.75%