3-Methyl-1-(3-phenyl-2-propynoyl)piperidine

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C4H8S4

    SMILES
    C/C=C/SSSSC

  • Odor profile

    Onion 86.28%
    Sulfurous 81.0%
    Garlic 80.82%
    Alliaceous 62.85%
    Savory 53.49%
    Cooked 52.2%
    Roasted 51.97%
    Pungent 51.84%
    Meaty 35.03%
    Cabbage 28.6%

    Scent© AI

  • Properties

    XLogP3-AA
    2.5

    Molecular weight
    184.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    271°C

    Flash point est.
    127.48 ˚C

  • Synonyms

    • Methylpropenyl tetrasulfide
    • JVAMVFJAZPOUHO-ONEGZZNKSA-N
    • methyl trans-1-propenyl tetrasulfide
    • 3-Methyl-1-(3-phenyl-2-propynoyl)piperidine

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 363.85
    methanol 259.26
    isopropanol 356.02
    water 0.16
    ethyl acetate 1230.11
    n-propanol 367.91
    acetone 2525.1
    n-butanol 424.03
    acetonitrile 1029.53
    DMF 3713.86
    toluene 2095.92
    isobutanol 330.56
    1,4-dioxane 3230.58
    methyl acetate 1240.21
    THF 4253.49
    2-butanone 1649.44
    n-pentanol 320.61
    sec-butanol 368.13
    n-hexane 203.64
    ethylene glycol 101.46
    NMP 3966.14
    cyclohexane 876.41
    DMSO 2966.2
    n-butyl acetate 1241.68
    n-octanol 354.14
    chloroform 2758.4
    n-propyl acetate 817.14
    acetic acid 604.16
    dichloromethane 2513.77
    cyclohexanone 3787.27
    propylene glycol 161.33
    isopropyl acetate 826.71
    DMAc 2611.57
    2-ethoxyethanol 585.84
    isopentanol 389.25
    n-heptane 304.03
    ethyl formate 733.76
    1,2-dichloroethane 1895.08
    n-hexanol 475.73
    2-methoxyethanol 945.69
    isobutyl acetate 589.87
    tetrachloromethane 675.01
    n-pentyl acetate 776.39
    transcutol 2067.81
    n-heptanol 272.19
    ethylbenzene 714.91
    MIBK 902.1
    2-propoxyethanol 826.95
    tert-butanol 605.77
    MTBE 1072.92
    2-butoxyethanol 509.44
    propionic acid 427.72
    o-xylene 1043.31
    formic acid 108.53
    diethyl ether 1008.96
    m-xylene 1129.25
    p-xylene 905.59
    chlorobenzene 2082.18
    dimethyl carbonate 706.64
    n-octane 139.03
    formamide 278.09
    cyclopentanone 4248.2
    2-pentanone 1470.32
    anisole 1503.67
    cyclopentyl methyl ether 2154.83
    gamma-butyrolactone 3030.64
    1-methoxy-2-propanol 710.13
    pyridine 3307.06
    3-pentanone 1269.92
    furfural 3226.61
    n-dodecane 104.96
    diethylene glycol 511.33
    diisopropyl ether 456.58
    tert-amyl alcohol 530.9
    acetylacetone 2278.38
    n-hexadecane 125.67
    acetophenone 1413.83
    methyl propionate 1049.38
    isopentyl acetate 1080.43
    trichloroethylene 4149.62
    n-nonanol 334.08
    cyclohexanol 943.61
    benzyl alcohol 810.17
    2-ethylhexanol 470.16
    isooctanol 246.48
    dipropyl ether 869.96
    1,2-dichlorobenzene 1765.56
    ethyl lactate 306.96
    propylene carbonate 1586.61
    n-methylformamide 855.19
    2-pentanol 350.68
    n-pentane 204.16
    1-propoxy-2-propanol 751.33
    1-methoxy-2-propyl acetate 1189.37
    2-(2-methoxypropoxy) propanol 643.27
    mesitylene 759.92
    ε-caprolactone 2226.59
    p-cymene 532.1
    epichlorohydrin 2977.48
    1,1,1-trichloroethane 2413.3
    2-aminoethanol 170.33
    morpholine-4-carbaldehyde 3646.18
    sulfolane 4045.94
    2,2,4-trimethylpentane 133.94
    2-methyltetrahydrofuran 2670.47
    n-hexyl acetate 961.27
    isooctane 132.64
    2-(2-butoxyethoxy)ethanol 860.31
    sec-butyl acetate 589.21
    tert-butyl acetate 1185.14
    decalin 326.61
    glycerin 236.79
    diglyme 1952.59
    acrylic acid 461.19
    isopropyl myristate 493.69
    n-butyric acid 668.64
    acetyl acetate 1017.18
    di(2-ethylhexyl) phthalate 416.51
    ethyl propionate 697.39
    nitromethane 1942.45
    1,2-diethoxyethane 1405.64
    benzonitrile 1663.18
    trioctyl phosphate 297.11
    1-bromopropane 1027.1
    gamma-valerolactone 4570.68
    n-decanol 274.58
    triethyl phosphate 461.21
    4-methyl-2-pentanol 241.89
    propionitrile 705.52
    vinylene carbonate 1527.66
    1,1,2-trichlorotrifluoroethane 1708.76
    DMS 983.11
    cumene 416.82
    2-octanol 248.09
    2-hexanone 969.44
    octyl acetate 567.04
    limonene 907.15
    1,2-dimethoxyethane 1835.23
    ethyl orthosilicate 466.55
    tributyl phosphate 388.56
    diacetone alcohol 934.03
    N,N-dimethylaniline 977.24
    acrylonitrile 979.07
    aniline 1350.01
    1,3-propanediol 311.2
    bromobenzene 2587.27
    dibromomethane 1689.61
    1,1,2,2-tetrachloroethane 2865.72
    2-methyl-cyclohexyl acetate 832.74
    tetrabutyl urea 629.98
    diisobutyl methanol 369.67
    2-phenylethanol 809.53
    styrene 1104.64
    dioctyl adipate 663.61
    dimethyl sulfate 1277.64
    ethyl butyrate 908.85
    methyl lactate 433.25
    butyl lactate 492.53
    diethyl carbonate 594.65
    propanediol butyl ether 482.39
    triethyl orthoformate 708.37
    p-tert-butyltoluene 580.21
    methyl 4-tert-butylbenzoate 890.93
    morpholine 2708.82
    tert-butylamine 405.74
    n-dodecanol 239.87
    dimethoxymethane 1721.89
    ethylene carbonate 1227.01
    cyrene 919.8
    2-ethoxyethyl acetate 1147.34
    2-ethylhexyl acetate 1010.64
    1,2,4-trichlorobenzene 2032.52
    4-methylpyridine 3384.02
    dibutyl ether 802.94
    2,6-dimethyl-4-heptanol 369.67
    DEF 1741.96
    dimethyl isosorbide 1708.72
    tetrachloroethylene 1715.62
    eugenol 784.48
    triacetin 979.86
    span 80 715.89
    1,4-butanediol 163.27
    1,1-dichloroethane 1706.5
    2-methyl-1-pentanol 325.74
    methyl formate 896.45
    2-methyl-1-butanol 379.39
    n-decane 162.09
    butyronitrile 873.54
    3,7-dimethyl-1-octanol 416.01
    1-chlorooctane 460.2
    1-chlorotetradecane 242.46
    n-nonane 171.47
    undecane 125.08
    tert-butylcyclohexane 249.27
    cyclooctane 375.64
    cyclopentanol 897.21
    tetrahydropyran 2809.21
    tert-amyl methyl ether 923.81
    2,5,8-trioxanonane 1354.32
    1-hexene 447.03
    2-isopropoxyethanol 470.09
    2,2,2-trifluoroethanol 260.54
    methyl butyrate 995.91

    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
Onion, welsh 8002-72-0 Allium fistulosum L. var. Maichuon, fam. Liliaceae 0.13%
Scallion Allium fistulosum L. var. Caespitosum, fam. Liliaceae 0.14%