Allyl Sulfide

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  • Identifiers

    CAS number
    592-88-1

    Molecular formula
    C6H10S

    SMILES
    C=CCSCC=C

    Safety labels

    Flammable
    Flammable

    Retention indicies (RI)

    • Carbowax: 1152.5

  • Odor profile

    Onion 82.93%
    Garlic 81.5%
    Sulfurous 77.74%
    Alliaceous 67.42%
    Pungent 61.22%
    Sweet 60.07%
    Radish 46.05%
    Metallic 42.34%
    Savory 42.24%
    Cooked 41.13%

    Scent© AI

  • Properties

    XLogP3-AA
    2.2

    Molecular weight
    114.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -85 °C

    Boiling point

    • 139 °C
    • 138.00 to 139.00 °C. @ 760.00 mm Hg

    Flash point est.
    30.37 ˚C

    Flash point expt.

    • 46.11 °C

    Solubility expt.

    • Practically insoluble in water. Miscible with alcohol, chloroform, ether, carbon tetrachloride.
    • insoluble in water; miscible in ethyl alcohol and diethyl ether

  • Synonyms

    • DIALLYL SULFIDE
    • Allyl sulfide
    • 592-88-1
    • Diallyl sulphide
    • Diallyl thioether
    • 1-Propene, 3,3'-thiobis-
    • Diallyl monosulfide
    • Thioallyl ether
    • Allyl monosulfide
    • diallylsulfide
    • Allyl sulphide
    • 2-Propenyl sulphide
    • 3,3-Thiobis(1-propene)
    • 3-prop-2-enylsulfanylprop-1-ene
    • FEMA No. 2042
    • NSC 20947
    • 3-(prop-2-en-1-ylsulfanyl)prop-1-ene
    • di-2-Propenyl sulfide
    • CCRIS 3252
    • 3-Allylsulfanyl-propene
    • Di(2-propenyl) sulfide
    • HSDB 7333
    • Bis(2-propenyl) sulfide
    • Dially monosulfide
    • EINECS 209-775-1
    • 60G7CF7CWZ
    • diallyl monosulphide
    • MFCD00008658
    • BRN 1736016
    • AI3-18865
    • NSC-20947
    • ALLYL SULFIDE [MI]
    • ALLYL SULFIDE [FHFI]
    • ALLYL SULFIDE [HSDB]
    • 3,3'-thiobis(prop-1-ene)
    • CHEBI:4489
    • CHEMBL170458
    • ALLYL SULFIDE [USP-RS]
    • DI(2-PROPENYL) SULPHIDE
    • BIS(2-PROPENYL) SULPHIDE
    • 4-01-00-02097 (Beilstein Handbook Reference)
    • NSC20947
    • ALLYL SULFIDE (USP-RS)
    • 3-allylsulfanylprop-1-ene
    • UNII-60G7CF7CWZ
    • Diallysulfide
    • Diallyl thioather
    • 2Propenyl sulphide
    • di-2-propenylsulfide
    • 3,3"-Thiobispropane
    • Allyl sulfide, 97%
    • Diallyl sulfide (DAS)
    • Spectrum2_000837
    • Spectrum3_001991
    • 1-Propene,3'-thiobis-
    • 3,3'Thiobis(1propene)
    • 4-Thia-1,6-heptadiene
    • 3,3'-Thiobis-1-propene
    • SCHEMBL45800
    • BSPBio_003591
    • Prop-1-ene-3,3'-thiobis
    • (CH2=CHCH2)2S
    • 3-(Allylsulfanyl)-1-propene
    • SPECTRUM1505293
    • SPBio_000793
    • Allyl sulfide, >=97%, FG
    • WLN: 1U2S2U1
    • DTXSID6060470
    • 3-(Allylsulfanyl)-1-propene #
    • FEMA 2042
    • KBio3_003027
    • 3,3'-Thiobis-1-propene, 9CI
    • Allyl sulfide, analytical standard
    • AAA59288
    • BDBM50318452
    • CCG-40295
    • STL453662
    • AKOS015897442
    • SDCCGMLS-0066835.P001
    • NCGC00095345-01
    • NCGC00095345-02
    • LS-13159
    • DB-053358
    • A0235
    • NS00012208
    • C08370
    • EN300-220520
    • SR-05000002373
    • SR-05000002373-1
    • Q11587666
    • Z1208219429
    • Allyl sulfide, United States Pharmacopeia (USP) Reference Standard
    • 209-775-1

  • Applications

    Allyl sulfide (CAS 592-88-1) is widely utilized in the flavor and fragrance industry to recreate garlic, onion and smoky notes in processed foods, serves as a key precursor for synthesizing biologically active organosulfur pharmaceuticals with antibacterial, antifungal and antioxidant properties, is employed as a cross-linking monomer to improve the flexibility and heat resistance of polymers, acts as an intermediate in the manufacture of pesticides and corrosion inhibitors, and is used as a model compound in biochemical studies exploring the chemoprotective effects of garlic-derived derivatives against carcinogenic agents.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 116.01
    methanol 64.63
    isopropanol 101.09
    water 0.04
    ethyl acetate 165.01
    n-propanol 124.43
    acetone 265.58
    n-butanol 141.61
    acetonitrile 105.36
    DMF 238.86
    toluene 184.29
    isobutanol 93.52
    1,4-dioxane 386.98
    methyl acetate 142.57
    THF 945.4
    2-butanone 229.23
    n-pentanol 92.15
    sec-butanol 111.9
    n-hexane 105.71
    ethylene glycol 15.37
    NMP 372.2
    cyclohexane 323.91
    DMSO 371.63
    n-butyl acetate 354.08
    n-octanol 100.79
    chloroform 474.3
    n-propyl acetate 134.87
    acetic acid 106.1
    dichloromethane 441.94
    cyclohexanone 598.82
    propylene glycol 31.16
    isopropyl acetate 109.48
    DMAc 159.68
    2-ethoxyethanol 88.59
    isopentanol 104.64
    n-heptane 344.63
    ethyl formate 103.59
    1,2-dichloroethane 280.07
    n-hexanol 240.76
    2-methoxyethanol 133.32
    isobutyl acetate 95.24
    tetrachloromethane 131.29
    n-pentyl acetate 151.35
    transcutol 338.08
    n-heptanol 96.65
    ethylbenzene 86.96
    MIBK 116.29
    2-propoxyethanol 219.53
    tert-butanol 132.43
    MTBE 127.81
    2-butoxyethanol 107.35
    propionic acid 102.71
    o-xylene 115.71
    formic acid 11.64
    diethyl ether 209.22
    m-xylene 107.78
    p-xylene 109.05
    chlorobenzene 212.45
    dimethyl carbonate 44.85
    n-octane 71.66
    formamide 21.27
    cyclopentanone 644.77
    2-pentanone 221.73
    anisole 123.58
    cyclopentyl methyl ether 381.78
    gamma-butyrolactone 493.96
    1-methoxy-2-propanol 122.65
    pyridine 369.88
    3-pentanone 168.92
    furfural 321.64
    n-dodecane 35.34
    diethylene glycol 95.75
    diisopropyl ether 80.37
    tert-amyl alcohol 106.81
    acetylacetone 189.57
    n-hexadecane 41.48
    acetophenone 128.35
    methyl propionate 125.0
    isopentyl acetate 244.5
    trichloroethylene 435.93
    n-nonanol 92.17
    cyclohexanol 235.8
    benzyl alcohol 88.83
    2-ethylhexanol 207.75
    isooctanol 76.47
    dipropyl ether 432.28
    1,2-dichlorobenzene 173.89
    ethyl lactate 55.1
    propylene carbonate 258.05
    n-methylformamide 76.81
    2-pentanol 103.82
    n-pentane 105.83
    1-propoxy-2-propanol 236.28
    1-methoxy-2-propyl acetate 197.01
    2-(2-methoxypropoxy) propanol 119.64
    mesitylene 81.46
    ε-caprolactone 379.46
    p-cymene 134.21
    epichlorohydrin 395.41
    1,1,1-trichloroethane 307.53
    2-aminoethanol 34.22
    morpholine-4-carbaldehyde 275.12
    sulfolane 576.93
    2,2,4-trimethylpentane 31.61
    2-methyltetrahydrofuran 570.98
    n-hexyl acetate 185.9
    isooctane 28.65
    2-(2-butoxyethoxy)ethanol 154.87
    sec-butyl acetate 92.28
    tert-butyl acetate 122.79
    decalin 75.58
    glycerin 36.82
    diglyme 303.35
    acrylic acid 76.38
    isopropyl myristate 100.93
    n-butyric acid 180.22
    acetyl acetate 95.35
    di(2-ethylhexyl) phthalate 74.58
    ethyl propionate 107.51
    nitromethane 138.03
    1,2-diethoxyethane 256.41
    benzonitrile 152.57
    trioctyl phosphate 65.76
    1-bromopropane 295.56
    gamma-valerolactone 477.81
    n-decanol 73.25
    triethyl phosphate 98.38
    4-methyl-2-pentanol 54.76
    propionitrile 132.46
    vinylene carbonate 190.9
    1,1,2-trichlorotrifluoroethane 194.6
    DMS 100.52
    cumene 61.59
    2-octanol 72.7
    2-hexanone 159.3
    octyl acetate 112.8
    limonene 272.09
    1,2-dimethoxyethane 231.3
    ethyl orthosilicate 100.48
    tributyl phosphate 80.53
    diacetone alcohol 120.98
    N,N-dimethylaniline 90.06
    acrylonitrile 126.65
    aniline 132.24
    1,3-propanediol 61.89
    bromobenzene 245.44
    dibromomethane 384.39
    1,1,2,2-tetrachloroethane 356.92
    2-methyl-cyclohexyl acetate 193.12
    tetrabutyl urea 127.12
    diisobutyl methanol 135.02
    2-phenylethanol 128.63
    styrene 112.3
    dioctyl adipate 126.29
    dimethyl sulfate 78.45
    ethyl butyrate 268.35
    methyl lactate 54.79
    butyl lactate 101.93
    diethyl carbonate 138.47
    propanediol butyl ether 89.92
    triethyl orthoformate 174.35
    p-tert-butyltoluene 128.25
    methyl 4-tert-butylbenzoate 118.46
    morpholine 391.82
    tert-butylamine 106.19
    n-dodecanol 64.17
    dimethoxymethane 156.15
    ethylene carbonate 171.91
    cyrene 122.87
    2-ethoxyethyl acetate 139.89
    2-ethylhexyl acetate 222.43
    1,2,4-trichlorobenzene 187.93
    4-methylpyridine 315.91
    dibutyl ether 249.08
    2,6-dimethyl-4-heptanol 135.02
    DEF 193.96
    dimethyl isosorbide 268.43
    tetrachloroethylene 240.63
    eugenol 104.15
    triacetin 137.01
    span 80 143.84
    1,4-butanediol 28.37
    1,1-dichloroethane 266.16
    2-methyl-1-pentanol 76.61
    methyl formate 69.13
    2-methyl-1-butanol 99.16
    n-decane 65.33
    butyronitrile 180.41
    3,7-dimethyl-1-octanol 106.03
    1-chlorooctane 135.74
    1-chlorotetradecane 61.81
    n-nonane 77.28
    undecane 44.86
    tert-butylcyclohexane 56.56
    cyclooctane 116.51
    cyclopentanol 264.23
    tetrahydropyran 623.73
    tert-amyl methyl ether 118.56
    2,5,8-trioxanonane 217.0
    1-hexene 179.51
    2-isopropoxyethanol 76.67
    2,2,2-trifluoroethanol 27.73
    methyl butyrate 156.69

    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 1 8008-99-9 Allium sativum L., fam. Liliaceae 6.0%
Garlic 2 8008-99-9 Allium sativum L., fam. Liliaceae 7.9%
Garlic (China) Allium sativum L., fam. Liliaceae 0.2%
Allium macrochatum (Turkey) Allium macrochaetum Boiss. et Hausskn., fam. Liliaceae 0.85%
Nira (Brazil) Allium tuberosum Rottl., fam. Liliaceae 5.0%