Allyl propyl trisulfide

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    33922-73-5

    Molecular formula
    C6H12S3

    SMILES
    CCCSSSCC=C

    Retention indicies (RI)

    • DB5: 1307.0

  • Odor profile

    Onion 87.65%
    Garlic 83.56%
    Sulfurous 82.01%
    Alliaceous 73.28%
    Savory 55.92%
    Roasted 53.45%
    Cooked 52.43%
    Pungent 49.03%
    Radish 35.16%
    Cabbage 34.59%

    Scent© AI

  • Properties

    XLogP3-AA
    2.9

    Molecular weight
    180.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    245°C

    Flash point est.
    102.03 ˚C

  • Synonyms

    • allyl propyl trisulfide
    • 2-propenyl propyl trisulfide
    • 33922-73-5
    • 1-(prop-2-enyltrisulfanyl)propane
    • Trisulfide, allyl propyl
    • Trisulfide, 2-propenyl propyl
    • Allyl propyltrisulfide
    • JB8R8DYZ2D
    • Trisulfide, 2-propen-1-yl propyl
    • 3-Propylsulfanyldisulfanylprop-1-ene
    • propyl allyl trisulfide
    • UNII-JB8R8DYZ2D
    • 1-Allyl-3-propyltrisulfane
    • DTXSID70335472
    • Propyl 2-propenyl trisulfide
    • SCHEMBL2929093
    • DTXCID20286561
    • AKOS006282486
    • 1-(prop-2-en-1-yl)-3-propyltrisulfane
    • NS00122406

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 551.59
    methanol 408.64
    isopropanol 518.24
    water 0.06
    ethyl acetate 1358.39
    n-propanol 501.22
    acetone 3054.57
    n-butanol 606.16
    acetonitrile 945.34
    DMF 3600.3
    toluene 1832.15
    isobutanol 461.89
    1,4-dioxane 2840.05
    methyl acetate 1195.63
    THF 5022.21
    2-butanone 1923.69
    n-pentanol 444.82
    sec-butanol 506.59
    n-hexane 196.11
    ethylene glycol 98.74
    NMP 3127.06
    cyclohexane 769.12
    DMSO 3904.25
    n-butyl acetate 1784.44
    n-octanol 390.37
    chloroform 2334.64
    n-propyl acetate 918.88
    acetic acid 659.58
    dichloromethane 2367.83
    cyclohexanone 4210.35
    propylene glycol 187.82
    isopropyl acetate 872.96
    DMAc 2174.78
    2-ethoxyethanol 672.17
    isopentanol 535.68
    n-heptane 359.88
    ethyl formate 763.03
    1,2-dichloroethane 1793.21
    n-hexanol 719.87
    2-methoxyethanol 1151.42
    isobutyl acetate 637.4
    tetrachloromethane 455.08
    n-pentyl acetate 834.94
    transcutol 2662.07
    n-heptanol 301.62
    ethylbenzene 584.65
    MIBK 996.02
    2-propoxyethanol 1098.82
    tert-butanol 777.72
    MTBE 1130.49
    2-butoxyethanol 550.96
    propionic acid 471.04
    o-xylene 805.87
    formic acid 89.84
    diethyl ether 1240.55
    m-xylene 974.42
    p-xylene 735.07
    chlorobenzene 1640.25
    dimethyl carbonate 499.26
    n-octane 120.22
    formamide 212.61
    cyclopentanone 4376.69
    2-pentanone 1825.69
    anisole 1108.2
    cyclopentyl methyl ether 2288.36
    gamma-butyrolactone 2939.2
    1-methoxy-2-propanol 936.83
    pyridine 2933.78
    3-pentanone 1364.4
    furfural 2700.46
    n-dodecane 88.22
    diethylene glycol 591.61
    diisopropyl ether 472.1
    tert-amyl alcohol 640.1
    acetylacetone 2229.37
    n-hexadecane 106.15
    acetophenone 1105.03
    methyl propionate 1054.43
    isopentyl acetate 1385.19
    trichloroethylene 3455.82
    n-nonanol 358.72
    cyclohexanol 1131.12
    benzyl alcohol 677.26
    2-ethylhexanol 604.1
    isooctanol 271.46
    dipropyl ether 1121.62
    1,2-dichlorobenzene 1244.86
    ethyl lactate 326.23
    propylene carbonate 1437.33
    n-methylformamide 857.01
    2-pentanol 491.57
    n-pentane 216.0
    1-propoxy-2-propanol 1071.1
    1-methoxy-2-propyl acetate 1480.67
    2-(2-methoxypropoxy) propanol 692.54
    mesitylene 632.95
    ε-caprolactone 2116.95
    p-cymene 499.78
    epichlorohydrin 2749.57
    1,1,1-trichloroethane 1944.67
    2-aminoethanol 196.8
    morpholine-4-carbaldehyde 2863.57
    sulfolane 3846.7
    2,2,4-trimethylpentane 104.61
    2-methyltetrahydrofuran 2940.05
    n-hexyl acetate 1035.93
    isooctane 110.31
    2-(2-butoxyethoxy)ethanol 916.96
    sec-butyl acetate 646.98
    tert-butyl acetate 1207.27
    decalin 253.34
    glycerin 252.06
    diglyme 1910.92
    acrylic acid 423.87
    isopropyl myristate 496.52
    n-butyric acid 899.99
    acetyl acetate 878.2
    di(2-ethylhexyl) phthalate 391.7
    ethyl propionate 708.53
    nitromethane 1711.36
    1,2-diethoxyethane 1647.8
    benzonitrile 1375.97
    trioctyl phosphate 302.99
    1-bromopropane 1148.25
    gamma-valerolactone 4353.24
    n-decanol 285.95
    triethyl phosphate 449.77
    4-methyl-2-pentanol 300.7
    propionitrile 765.36
    vinylene carbonate 1255.48
    1,1,2-trichlorotrifluoroethane 1305.89
    DMS 843.08
    cumene 344.79
    2-octanol 266.4
    2-hexanone 1160.2
    octyl acetate 567.22
    limonene 912.57
    1,2-dimethoxyethane 1850.99
    ethyl orthosilicate 462.49
    tributyl phosphate 419.23
    diacetone alcohol 1037.92
    N,N-dimethylaniline 726.46
    acrylonitrile 965.75
    aniline 1112.63
    1,3-propanediol 391.92
    bromobenzene 2018.08
    dibromomethane 1625.99
    1,1,2,2-tetrachloroethane 2345.96
    2-methyl-cyclohexyl acetate 867.25
    tetrabutyl urea 648.95
    diisobutyl methanol 450.11
    2-phenylethanol 783.35
    styrene 879.29
    dioctyl adipate 675.7
    dimethyl sulfate 891.26
    ethyl butyrate 1104.98
    methyl lactate 426.81
    butyl lactate 567.31
    diethyl carbonate 619.04
    propanediol butyl ether 581.97
    triethyl orthoformate 768.65
    p-tert-butyltoluene 520.49
    methyl 4-tert-butylbenzoate 739.71
    morpholine 2731.83
    tert-butylamine 492.99
    n-dodecanol 245.68
    dimethoxymethane 1780.4
    ethylene carbonate 1033.82
    cyrene 768.33
    2-ethoxyethyl acetate 1146.12
    2-ethylhexyl acetate 1184.41
    1,2,4-trichlorobenzene 1335.36
    4-methylpyridine 3070.33
    dibutyl ether 947.43
    2,6-dimethyl-4-heptanol 450.11
    DEF 1746.05
    dimethyl isosorbide 1582.01
    tetrachloroethylene 1414.48
    eugenol 645.1
    triacetin 923.53
    span 80 720.4
    1,4-butanediol 191.26
    1,1-dichloroethane 1634.68
    2-methyl-1-pentanol 407.92
    methyl formate 803.64
    2-methyl-1-butanol 498.9
    n-decane 144.03
    butyronitrile 1027.4
    3,7-dimethyl-1-octanol 488.97
    1-chlorooctane 467.41
    1-chlorotetradecane 219.52
    n-nonane 150.84
    undecane 108.3
    tert-butylcyclohexane 197.17
    cyclooctane 306.73
    cyclopentanol 992.16
    tetrahydropyran 3237.83
    tert-amyl methyl ether 873.35
    2,5,8-trioxanonane 1330.73
    1-hexene 553.09
    2-isopropoxyethanol 532.32
    2,2,2-trifluoroethanol 190.36
    methyl butyrate 1027.46

    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 2 8008-99-9 Allium sativum L., fam. Liliaceae 0.01%
Garlic (China) Allium sativum L., fam. Liliaceae 0.01%
Scallion (Cuba) Allium fistulosum L., fam. Liliaceae 1.6%
Adenocalymma alliaceum (Brazil) 1a leaf Adenocalymma alliaceum Miers, fam. Bignoniaceae 0.1%