Dibenzyl Disulfide

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  • Identifiers

    CAS number
    150-60-7

    Molecular formula
    C14H14S2

    SMILES
    C1=CC=C(C=C1)CSSCC2=CC=CC=C2

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 2064.0

  • Odor profile

    Green 78.48%
    Sulfurous 78.32%
    Earthy 59.96%
    Vegetable 56.8%
    Burnt 52.15%
    Alliaceous 49.42%
    Mushroom 47.77%
    Onion 44.69%
    Garlic 43.23%
    Metallic 42.7%

    Scent© AI

  • Properties

    XLogP3-AA
    3.9

    Molecular weight
    246.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 71 - 72 °C

    Boiling point

    • 270.00 °C. @ 760.00 mm Hg

    Flash point est.
    177.93 ˚C

    Solubility expt.

    • insoluble or slightly soluble in water; soluble in hot alcohol, ether

  • Synonyms

    • Dibenzyl disulfide
    • 150-60-7
    • Benzyl disulfide
    • Disulfide, bis(phenylmethyl)
    • Dibenzyl disulphide
    • 1,2-dibenzyldisulfane
    • Dibenzyldisulfid
    • Benzyl bisulfide
    • Di(phenylmethyl)disulfide
    • (benzyldisulfanyl)methylbenzene
    • Bis(phenylmethyl) disulfide
    • DISULFIDE, DIBENZYL
    • Benzyldisulfide
    • alpha-(Benzyldithio)toluene
    • 1,4-Diphenyl-2,3-dithiabutane
    • Di(phenylmethyl) disulfide
    • Dibenzyldisulfide
    • Diphenylmethyl disulfide
    • Dibenzyldisulfid [Czech]
    • 1,4-Diphenyl-2,3-dithiobutane
    • [(Benzyldisulfanyl)methyl]benzene
    • NSC 6841
    • .alpha.-(Benzyldithio)toluene
    • FEMA No. 3617
    • CCRIS 6924
    • NSC 677465
    • EINECS 205-764-0
    • ghl.PD_Mitscher_leg0.312
    • BDS
    • UNII-BG7680605N
    • CHEBI:72752
    • 4,4'-Biphenyldiglyoxal disodium bisulfite
    • 1,1'-(disulfanediyldimethanediyl)dibenzene
    • Benzyl disulfide, 8CI
    • NSC-6841
    • Benzyl disulfide (8CI)
    • MFCD00004783
    • 1,1'-[dithiobis(methylene)]dibenzene
    • NSC-677465
    • DAILUBE S 700
    • benzyldisulfanyl-methyl-benzene
    • BENZYL DISULFIDE [FHFI]
    • DIBENZYL DISULFIDE [MI]
    • DTXSID6059738
    • FEMA 3617
    • BENZYL DISULFIDE [USP-RS]
    • Bis(phenylmethyl) disulfide, 9CI
    • NSC677465
    • BG7680605N
    • BENZYL DISULFIDE (USP-RS)
    • benzyl disulphide
    • Benzyl bisulphide
    • dibenzyldisulphide
    • dibenzyl-disulfide
    • 1,3-dithiabutane
    • a-(Benzyldithio)toluene
    • alpha(Benzyldithio)toluene
    • Dibenzyl disulfide, 98%
    • Di(phenylmethyl) disulphide
    • bis(phenylmethyl) disulphide
    • WLN: R1SS1R
    • 1,4Diphenyl2,3dithiabutane
    • 1,4Diphenyl2,3dithiobutane
    • alpha-(Benzyldithio))toluene
    • Benzyl disulfide, 98%, FG
    • Dibenzyl disulfide (Standard)
    • SCHEMBL160895
    • CHEMBL121047
    • DTXCID0034859
    • NSC6841
    • HY-W009516R
    • [(Benzyldisulfanyl)methyl]benzene #
    • STK831913
    • AKOS005177808
    • CS-W010232
    • Dibenzyl disulfide, analytical standard
    • HY-W009516
    • SY008111
    • DB-003625
    • B0417
    • NS00020151
    • EN300-16500
    • D77707
    • Dibenzyl disulfide 2 microg/mL in Transformer Oil
    • Dibenzyl disulfide 10 microg/mL in Transformer Oil
    • Q27140119
    • Z55949860
    • Benzyl disulfide, United States Pharmacopeia (USP) Reference Standard

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.88
    methanol 4.94
    isopropanol 6.18
    water 0.0
    ethyl acetate 260.94
    n-propanol 10.5
    acetone 221.01
    n-butanol 11.84
    acetonitrile 67.52
    DMF 258.84
    toluene 332.9
    isobutanol 9.11
    1,4-dioxane 550.83
    methyl acetate 193.66
    THF 1008.55
    2-butanone 218.3
    n-pentanol 16.61
    sec-butanol 10.97
    n-hexane 13.64
    ethylene glycol 1.99
    NMP 330.97
    cyclohexane 66.34
    DMSO 219.83
    n-butyl acetate 224.61
    n-octanol 21.64
    chloroform 837.72
    n-propyl acetate 174.54
    acetic acid 38.62
    dichloromethane 1011.36
    cyclohexanone 517.21
    propylene glycol 5.46
    isopropyl acetate 168.29
    DMAc 309.05
    2-ethoxyethanol 55.68
    isopentanol 15.62
    n-heptane 35.39
    ethyl formate 100.74
    1,2-dichloroethane 721.95
    n-hexanol 26.48
    2-methoxyethanol 57.6
    isobutyl acetate 131.74
    tetrachloromethane 70.93
    n-pentyl acetate 115.33
    transcutol 526.85
    n-heptanol 17.29
    ethylbenzene 141.16
    MIBK 141.31
    2-propoxyethanol 74.13
    tert-butanol 16.66
    MTBE 70.17
    2-butoxyethanol 47.34
    propionic acid 32.34
    o-xylene 139.66
    formic acid 4.42
    diethyl ether 110.07
    m-xylene 147.59
    p-xylene 143.22
    chlorobenzene 373.59
    dimethyl carbonate 112.93
    n-octane 14.16
    formamide 16.82
    cyclopentanone 789.03
    2-pentanone 200.52
    anisole 313.8
    cyclopentyl methyl ether 350.56
    gamma-butyrolactone 653.02
    1-methoxy-2-propanol 54.25
    pyridine 596.13
    3-pentanone 217.56
    furfural 574.25
    n-dodecane 10.04
    diethylene glycol 35.9
    diisopropyl ether 54.85
    tert-amyl alcohol 18.9
    acetylacetone 420.89
    n-hexadecane 12.47
    acetophenone 267.1
    methyl propionate 197.51
    isopentyl acetate 200.83
    trichloroethylene 1493.3
    n-nonanol 25.42
    cyclohexanol 43.37
    benzyl alcohol 93.71
    2-ethylhexanol 45.99
    isooctanol 20.06
    dipropyl ether 191.99
    1,2-dichlorobenzene 346.44
    ethyl lactate 55.98
    propylene carbonate 331.96
    n-methylformamide 51.27
    2-pentanol 12.7
    n-pentane 7.41
    1-propoxy-2-propanol 87.36
    1-methoxy-2-propyl acetate 281.15
    2-(2-methoxypropoxy) propanol 109.47
    mesitylene 88.39
    ε-caprolactone 368.82
    p-cymene 81.67
    epichlorohydrin 921.37
    1,1,1-trichloroethane 489.92
    2-aminoethanol 5.24
    morpholine-4-carbaldehyde 431.57
    sulfolane 653.54
    2,2,4-trimethylpentane 8.58
    2-methyltetrahydrofuran 396.25
    n-hexyl acetate 122.8
    isooctane 7.48
    2-(2-butoxyethoxy)ethanol 130.71
    sec-butyl acetate 137.38
    tert-butyl acetate 213.81
    decalin 39.47
    glycerin 11.64
    diglyme 397.84
    acrylic acid 36.88
    isopropyl myristate 78.97
    n-butyric acid 66.72
    acetyl acetate 225.29
    di(2-ethylhexyl) phthalate 61.05
    ethyl propionate 172.36
    nitromethane 188.14
    1,2-diethoxyethane 342.8
    benzonitrile 187.31
    trioctyl phosphate 35.92
    1-bromopropane 221.28
    gamma-valerolactone 780.42
    n-decanol 21.02
    triethyl phosphate 109.33
    4-methyl-2-pentanol 14.74
    propionitrile 56.41
    vinylene carbonate 304.12
    1,1,2-trichlorotrifluoroethane 301.28
    DMS 203.01
    cumene 75.89
    2-octanol 14.89
    2-hexanone 163.25
    octyl acetate 77.57
    limonene 123.23
    1,2-dimethoxyethane 299.63
    ethyl orthosilicate 100.57
    tributyl phosphate 55.73
    diacetone alcohol 127.09
    N,N-dimethylaniline 171.03
    acrylonitrile 91.76
    aniline 135.32
    1,3-propanediol 9.98
    bromobenzene 541.97
    dibromomethane 567.84
    1,1,2,2-tetrachloroethane 953.45
    2-methyl-cyclohexyl acetate 168.65
    tetrabutyl urea 84.87
    diisobutyl methanol 43.88
    2-phenylethanol 98.3
    styrene 205.0
    dioctyl adipate 130.6
    dimethyl sulfate 200.42
    ethyl butyrate 231.39
    methyl lactate 57.15
    butyl lactate 65.73
    diethyl carbonate 157.86
    propanediol butyl ether 39.15
    triethyl orthoformate 171.73
    p-tert-butyltoluene 78.4
    methyl 4-tert-butylbenzoate 159.67
    morpholine 347.27
    tert-butylamine 12.42
    n-dodecanol 19.37
    dimethoxymethane 236.03
    ethylene carbonate 228.82
    cyrene 142.84
    2-ethoxyethyl acetate 217.2
    2-ethylhexyl acetate 182.72
    1,2,4-trichlorobenzene 406.25
    4-methylpyridine 437.21
    dibutyl ether 146.27
    2,6-dimethyl-4-heptanol 43.88
    DEF 231.55
    dimethyl isosorbide 371.51
    tetrachloroethylene 490.82
    eugenol 121.97
    triacetin 200.29
    span 80 87.37
    1,4-butanediol 6.12
    1,1-dichloroethane 372.83
    2-methyl-1-pentanol 23.4
    methyl formate 78.56
    2-methyl-1-butanol 14.4
    n-decane 17.26
    butyronitrile 60.56
    3,7-dimethyl-1-octanol 38.91
    1-chlorooctane 64.95
    1-chlorotetradecane 30.33
    n-nonane 16.94
    undecane 12.41
    tert-butylcyclohexane 26.47
    cyclooctane 30.6
    cyclopentanol 46.77
    tetrahydropyran 409.77
    tert-amyl methyl ether 76.85
    2,5,8-trioxanonane 263.22
    1-hexene 47.57
    2-isopropoxyethanol 53.83
    2,2,2-trifluoroethanol 19.66
    methyl butyrate 216.6

    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 23.3%
Petiveria alliaceae (Brazil) flower Petiveria alliaceae L., fam. Phytolaccaceae 18.0%