Diallyl Tetrasulfide

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  • Identifiers

    CAS number
    2444-49-7

    Molecular formula
    C6H10S4

    SMILES
    C=CCSSSSCC=C

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1540.0

  • Odor profile

    Onion 89.27%
    Garlic 86.75%
    Sulfurous 85.82%
    Alliaceous 74.34%
    Roasted 62.53%
    Savory 58.33%
    Pungent 55.05%
    Cooked 53.75%
    Meaty 37.38%
    Radish 32.89%

    Scent© AI

  • Properties

    XLogP3-AA
    3.1

    Molecular weight
    210.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point

    • 279.00 to 280.00 °C. @ 760.00 mm Hg

    Flash point est.
    139.24 ˚C

  • Synonyms

    • Diallyl tetrasulfide
    • Diallyl tetrasulphide
    • 2444-49-7
    • Tetrasulfide, di-2-propenyl
    • 3-(prop-2-enyltetrasulfanyl)prop-1-ene
    • Diallyltetrasulfide
    • allyl tetrasulfide
    • Dially tetrasulfide
    • WRP12IW1D7
    • EINECS 219-485-7
    • Di-2-propenyl tetrasulfide
    • TETRASULFIDE, DIALLYL
    • BIS(PROP-2-EN-1-YL)TETRASULFANE
    • DTXSID70179196
    • FEMA NO. 3533, TETRASULFIDE
    • UNII-WRP12IW1D7
    • Diallyltetrasulfane
    • Di-allyl-tetrasulfide
    • 1,4-Diallyltetrasulfane
    • Allyl tetrasulfide, 8CI
    • 1,4-Diallyltetrasulfane #
    • SCHEMBL389609
    • CHEMBL1947232
    • DTXCID00101687
    • 3-(allyltetrasulfanyl)prop-1-ene
    • CHEBI:177763
    • HY-N9515
    • NSC750226
    • 4,5,6,7-Tetrathia-1,9-decadiene
    • AKOS040755018
    • NSC-750226
    • 3-(prop-2-enyltetrasulanyl)prop-1-ene
    • AS-86450
    • DB-254396
    • CS-0182809
    • NS00047724
    • Q27292795
    • 219-485-7

  • Applications

    Diallyl tetrasulfide (CAS 2444-49-7) is a natural organosulfur constituent of garlic oil with applications in: biomedical research (antimicrobial, antifungal, antiparasitic, and chemopreventive potential; modulation of signaling pathways such as NF-κB and Nrf2; induction of apoptosis; redox regulation; acts as a slow H2S donor and promoter of protein persulfidation); analytical chemistry (reference/internal standard for GC-MS/LC-MS to quantify and profile garlic polysulfides and related preparations); materials and industrial uses (sulfurizing/crosslinking agent for polymers and elastomers; sulfur-donating component in extreme-pressure/antiwear lubricant additive packages; sulfur source for synthesizing metal sulfide nanomaterials; corrosion inhibition and metal surface treatment); flavor science and food (garlic aroma reference to support standardization of garlic extracts); agriculture (investigated as a natural bioactive against phytopathogenic fungi and nematodes); note its strong odor, potential toxicity, and oxidative lability—handle in closed, dry, cool, light-protected conditions with appropriate chemical safety practices.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 56.72
    methanol 37.91
    isopropanol 58.79
    water 0.01
    ethyl acetate 347.71
    n-propanol 64.45
    acetone 682.51
    n-butanol 78.8
    acetonitrile 206.17
    DMF 1184.03
    toluene 604.02
    isobutanol 65.79
    1,4-dioxane 829.27
    methyl acetate 343.59
    THF 1657.36
    2-butanone 490.43
    n-pentanol 74.76
    sec-butanol 69.62
    n-hexane 54.79
    ethylene glycol 15.21
    NMP 1589.12
    cyclohexane 230.06
    DMSO 957.47
    n-butyl acetate 428.38
    n-octanol 89.95
    chloroform 965.74
    n-propyl acetate 272.17
    acetic acid 134.0
    dichloromethane 879.73
    cyclohexanone 1265.04
    propylene glycol 32.08
    isopropyl acetate 265.8
    DMAc 964.78
    2-ethoxyethanol 150.94
    isopentanol 85.99
    n-heptane 96.69
    ethyl formate 215.21
    1,2-dichloroethane 657.38
    n-hexanol 117.6
    2-methoxyethanol 223.46
    isobutyl acetate 210.19
    tetrachloromethane 159.32
    n-pentyl acetate 265.13
    transcutol 677.81
    n-heptanol 66.72
    ethylbenzene 236.21
    MIBK 305.3
    2-propoxyethanol 232.21
    tert-butanol 111.31
    MTBE 260.86
    2-butoxyethanol 142.98
    propionic acid 107.17
    o-xylene 315.14
    formic acid 19.63
    diethyl ether 245.73
    m-xylene 346.51
    p-xylene 305.04
    chlorobenzene 731.94
    dimethyl carbonate 218.84
    n-octane 43.82
    formamide 55.2
    cyclopentanone 1665.61
    2-pentanone 460.41
    anisole 481.53
    cyclopentyl methyl ether 774.07
    gamma-butyrolactone 1212.86
    1-methoxy-2-propanol 194.26
    pyridine 1028.78
    3-pentanone 414.26
    furfural 1256.71
    n-dodecane 32.31
    diethylene glycol 121.48
    diisopropyl ether 135.6
    tert-amyl alcohol 107.09
    acetylacetone 777.57
    n-hexadecane 39.79
    acetophenone 516.77
    methyl propionate 337.1
    isopentyl acetate 392.14
    trichloroethylene 1586.9
    n-nonanol 90.28
    cyclohexanol 217.08
    benzyl alcohol 245.31
    2-ethylhexanol 145.01
    isooctanol 66.44
    dipropyl ether 296.6
    1,2-dichlorobenzene 638.72
    ethyl lactate 111.62
    propylene carbonate 628.48
    n-methylformamide 218.1
    2-pentanol 73.02
    n-pentane 48.0
    1-propoxy-2-propanol 242.17
    1-methoxy-2-propyl acetate 453.42
    2-(2-methoxypropoxy) propanol 227.02
    mesitylene 239.92
    ε-caprolactone 770.31
    p-cymene 195.58
    epichlorohydrin 1160.77
    1,1,1-trichloroethane 716.91
    2-aminoethanol 30.49
    morpholine-4-carbaldehyde 1202.14
    sulfolane 1767.62
    2,2,4-trimethylpentane 37.77
    2-methyltetrahydrofuran 882.29
    n-hexyl acetate 309.38
    isooctane 35.0
    2-(2-butoxyethoxy)ethanol 264.71
    sec-butyl acetate 209.98
    tert-butyl acetate 380.42
    decalin 111.63
    glycerin 52.62
    diglyme 651.47
    acrylic acid 119.49
    isopropyl myristate 173.13
    n-butyric acid 186.71
    acetyl acetate 319.47
    di(2-ethylhexyl) phthalate 155.8
    ethyl propionate 241.45
    nitromethane 516.65
    1,2-diethoxyethane 467.88
    benzonitrile 519.65
    trioctyl phosphate 104.32
    1-bromopropane 337.67
    gamma-valerolactone 1608.09
    n-decanol 75.86
    triethyl phosphate 183.82
    4-methyl-2-pentanol 62.16
    propionitrile 163.3
    vinylene carbonate 559.2
    1,1,2-trichlorotrifluoroethane 635.59
    DMS 342.2
    cumene 147.41
    2-octanol 61.88
    2-hexanone 323.5
    octyl acetate 189.12
    limonene 326.64
    1,2-dimethoxyethane 549.72
    ethyl orthosilicate 178.71
    tributyl phosphate 144.16
    diacetone alcohol 305.37
    N,N-dimethylaniline 343.53
    acrylonitrile 236.81
    aniline 357.99
    1,3-propanediol 57.17
    bromobenzene 963.01
    dibromomethane 603.81
    1,1,2,2-tetrachloroethane 1095.01
    2-methyl-cyclohexyl acetate 331.2
    tetrabutyl urea 242.46
    diisobutyl methanol 123.72
    2-phenylethanol 261.96
    styrene 355.51
    dioctyl adipate 261.38
    dimethyl sulfate 447.16
    ethyl butyrate 351.55
    methyl lactate 152.24
    butyl lactate 173.97
    diethyl carbonate 223.84
    propanediol butyl ether 138.68
    triethyl orthoformate 279.33
    p-tert-butyltoluene 210.15
    methyl 4-tert-butylbenzoate 330.66
    morpholine 726.34
    tert-butylamine 80.32
    n-dodecanol 67.47
    dimethoxymethane 526.79
    ethylene carbonate 414.58
    cyrene 357.77
    2-ethoxyethyl acetate 383.49
    2-ethylhexyl acetate 362.49
    1,2,4-trichlorobenzene 757.57
    4-methylpyridine 1046.73
    dibutyl ether 270.64
    2,6-dimethyl-4-heptanol 123.72
    DEF 570.71
    dimethyl isosorbide 687.11
    tetrachloroethylene 594.07
    eugenol 265.79
    triacetin 355.99
    span 80 229.78
    1,4-butanediol 33.76
    1,1-dichloroethane 516.36
    2-methyl-1-pentanol 83.05
    methyl formate 249.29
    2-methyl-1-butanol 80.79
    n-decane 51.23
    butyronitrile 203.71
    3,7-dimethyl-1-octanol 126.6
    1-chlorooctane 158.52
    1-chlorotetradecane 81.78
    n-nonane 51.43
    undecane 39.29
    tert-butylcyclohexane 79.1
    cyclooctane 110.71
    cyclopentanol 247.57
    tetrahydropyran 772.42
    tert-amyl methyl ether 250.79
    2,5,8-trioxanonane 454.48
    1-hexene 128.42
    2-isopropoxyethanol 130.62
    2,2,2-trifluoroethanol 63.76
    methyl butyrate 346.25

    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 0.16%
Adenocalymma alliaceum (Brazil) 1a leaf Adenocalymma alliaceum Miers, fam. Bignoniaceae 3.3%
Adenocalymma alliaceum (Brazil) 1b flower Adenocalymma alliaceum Miers, fam. Bignoniaceae 2.2%