Dibenzyl Trisulfide

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    6493-73-8

    Molecular formula
    C14H14S3

    SMILES
    C1=CC=C(C=C1)CSSSCC2=CC=CC=C2

    Retention indicies (RI)

    • DB5: 2310.0

  • Odor profile

    Sulfurous 76.43%
    Green 66.42%
    Earthy 57.42%
    Mushroom 49.69%
    Burnt 49.45%
    Vegetable 48.11%
    Onion 48.04%
    Alliaceous 47.92%
    Garlic 47.9%
    Pungent 44.49%

    Scent© AI

  • Properties

    XLogP3-AA
    4.3

    Molecular weight
    278.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    446°C

    Flash point est.
    204.5 ˚C

  • Synonyms

    • Benzyl trisulfide
    • 6493-73-8
    • Dibenzyl trisulfide
    • dibenzyltrisulfane
    • Trisulfide, bis(phenylmethyl)
    • (benzyltrisulfanyl)methylbenzene
    • Benzyltrisulfide
    • C8U5BEF9RN
    • Bis(phenylmethyl)trisulfide
    • dibenzyl trisulphide
    • DTS
    • DTXSID90215247
    • GUINEA HEN WEED ACTIVE INGREDIENT
    • benzyl trisulphide
    • 1,3-Dibenzyltrisulfane
    • Dibenzyltrisulphane
    • UNII-C8U5BEF9RN
    • 1,3-Dibenzyltrisulfane #
    • Trisulfane, bis(phenylmethyl)-
    • CHEMBL378770
    • SCHEMBL2803113
    • DTXCID90137738
    • GLXC-04684
    • GAA49373
    • NSC709944
    • AKOS015913250
    • NSC-709944
    • NCI60_038710
    • DB-008926
    • HY-129461
    • CS-0105645
    • AD-310/30361036

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.33
    methanol 2.41
    isopropanol 2.26
    water 0.0
    ethyl acetate 111.81
    n-propanol 4.24
    acetone 84.28
    n-butanol 5.11
    acetonitrile 22.42
    DMF 130.29
    toluene 190.37
    isobutanol 3.55
    1,4-dioxane 297.91
    methyl acetate 79.98
    THF 561.6
    2-butanone 92.2
    n-pentanol 7.77
    sec-butanol 4.36
    n-hexane 3.49
    ethylene glycol 0.67
    NMP 209.87
    cyclohexane 22.44
    DMSO 80.45
    n-butyl acetate 110.83
    n-octanol 8.87
    chloroform 477.79
    n-propyl acetate 83.59
    acetic acid 16.39
    dichloromethane 583.78
    cyclohexanone 294.89
    propylene glycol 1.84
    isopropyl acetate 79.08
    DMAc 187.76
    2-ethoxyethanol 28.11
    isopentanol 6.82
    n-heptane 11.28
    ethyl formate 41.73
    1,2-dichloroethane 369.42
    n-hexanol 10.71
    2-methoxyethanol 28.83
    isobutyl acetate 64.33
    tetrachloromethane 29.22
    n-pentyl acetate 59.91
    transcutol 320.36
    n-heptanol 7.27
    ethylbenzene 76.82
    MIBK 64.26
    2-propoxyethanol 36.4
    tert-butanol 5.4
    MTBE 30.7
    2-butoxyethanol 23.44
    propionic acid 12.13
    o-xylene 72.6
    formic acid 2.39
    diethyl ether 44.48
    m-xylene 80.93
    p-xylene 75.25
    chlorobenzene 240.27
    dimethyl carbonate 51.09
    n-octane 4.39
    formamide 9.06
    cyclopentanone 424.14
    2-pentanone 88.83
    anisole 203.89
    cyclopentyl methyl ether 188.57
    gamma-butyrolactone 348.32
    1-methoxy-2-propanol 24.79
    pyridine 381.23
    3-pentanone 90.91
    furfural 360.19
    n-dodecane 3.36
    diethylene glycol 15.97
    diisopropyl ether 21.87
    tert-amyl alcohol 7.36
    acetylacetone 223.52
    n-hexadecane 4.26
    acetophenone 175.91
    methyl propionate 81.93
    isopentyl acetate 107.36
    trichloroethylene 920.22
    n-nonanol 11.1
    cyclohexanol 18.19
    benzyl alcohol 56.34
    2-ethylhexanol 20.13
    isooctanol 8.58
    dipropyl ether 86.67
    1,2-dichlorobenzene 226.03
    ethyl lactate 27.46
    propylene carbonate 175.87
    n-methylformamide 24.54
    2-pentanol 5.14
    n-pentane 2.17
    1-propoxy-2-propanol 41.89
    1-methoxy-2-propyl acetate 165.52
    2-(2-methoxypropoxy) propanol 66.87
    mesitylene 43.64
    ε-caprolactone 211.45
    p-cymene 45.33
    epichlorohydrin 570.57
    1,1,1-trichloroethane 236.95
    2-aminoethanol 2.13
    morpholine-4-carbaldehyde 273.64
    sulfolane 319.97
    2,2,4-trimethylpentane 3.2
    2-methyltetrahydrofuran 219.46
    n-hexyl acetate 63.15
    isooctane 2.37
    2-(2-butoxyethoxy)ethanol 76.96
    sec-butyl acetate 71.51
    tert-butyl acetate 109.93
    decalin 15.57
    glycerin 4.29
    diglyme 248.74
    acrylic acid 14.69
    isopropyl myristate 42.13
    n-butyric acid 28.25
    acetyl acetate 106.9
    di(2-ethylhexyl) phthalate 37.56
    ethyl propionate 79.6
    nitromethane 80.9
    1,2-diethoxyethane 202.51
    benzonitrile 112.36
    trioctyl phosphate 17.76
    1-bromopropane 109.82
    gamma-valerolactone 497.28
    n-decanol 8.96
    triethyl phosphate 63.96
    4-methyl-2-pentanol 5.86
    propionitrile 20.77
    vinylene carbonate 168.35
    1,1,2-trichlorotrifluoroethane 179.47
    DMS 107.2
    cumene 38.62
    2-octanol 5.99
    2-hexanone 80.5
    octyl acetate 40.54
    limonene 69.07
    1,2-dimethoxyethane 172.04
    ethyl orthosilicate 60.17
    tributyl phosphate 29.03
    diacetone alcohol 57.77
    N,N-dimethylaniline 110.7
    acrylonitrile 33.59
    aniline 74.67
    1,3-propanediol 4.05
    bromobenzene 350.03
    dibromomethane 299.96
    1,1,2,2-tetrachloroethane 574.86
    2-methyl-cyclohexyl acetate 106.39
    tetrabutyl urea 49.83
    diisobutyl methanol 18.61
    2-phenylethanol 57.86
    styrene 120.46
    dioctyl adipate 79.32
    dimethyl sulfate 95.73
    ethyl butyrate 122.86
    methyl lactate 24.6
    butyl lactate 32.29
    diethyl carbonate 84.73
    propanediol butyl ether 19.53
    triethyl orthoformate 101.86
    p-tert-butyltoluene 42.57
    methyl 4-tert-butylbenzoate 97.4
    morpholine 196.03
    tert-butylamine 4.09
    n-dodecanol 7.84
    dimethoxymethane 120.94
    ethylene carbonate 114.23
    cyrene 96.49
    2-ethoxyethyl acetate 129.38
    2-ethylhexyl acetate 104.68
    1,2,4-trichlorobenzene 276.68
    4-methylpyridine 291.93
    dibutyl ether 66.78
    2,6-dimethyl-4-heptanol 18.61
    DEF 123.58
    dimethyl isosorbide 261.96
    tetrachloroethylene 259.17
    eugenol 77.66
    triacetin 116.04
    span 80 50.2
    1,4-butanediol 2.46
    1,1-dichloroethane 170.35
    2-methyl-1-pentanol 11.25
    methyl formate 34.03
    2-methyl-1-butanol 6.4
    n-decane 6.03
    butyronitrile 26.53
    3,7-dimethyl-1-octanol 17.23
    1-chlorooctane 28.58
    1-chlorotetradecane 12.55
    n-nonane 5.25
    undecane 4.23
    tert-butylcyclohexane 10.28
    cyclooctane 10.2
    cyclopentanol 19.58
    tetrahydropyran 208.15
    tert-amyl methyl ether 36.52
    2,5,8-trioxanonane 171.31
    1-hexene 17.01
    2-isopropoxyethanol 26.39
    2,2,2-trifluoroethanol 7.53
    methyl butyrate 107.57

    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
Petiveria alliaceae (Benin) Petiveria alliaceae L., fam. Phytolaccaceae 9.4%