Benzyl sulfide

Overview IFRA Request a quote

  • Identifiers

    CAS number
    538-74-9

    Molecular formula
    C14H14S

    SMILES
    C1=CC=C(C=C1)CSCC2=CC=CC=C2

  • Odor profile

    Sulfurous 67.46%
    Green 57.64%
    Earthy 54.94%
    Burnt 53.4%
    Mushroom 48.76%
    Fruity 48.45%
    Vegetable 44.92%
    Meaty 40.07%
    Alliaceous 39.55%
    Roasted 39.37%

    Scent© AI

  • Properties

    XLogP3-AA
    3.9

    Molecular weight
    214.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 120 to 122 °F (NTP, 1992)
    • 49.5 °C

    Boiling point

    • Decomposes (NTP, 1992)

    Flash point est.
    157.79 ˚C

    Flash point expt.

    • greater than 230 °F (NTP, 1992)
    • Flash point > 110 °C

    Solubility expt.

    • less than 1 mg/mL at 70 °F (NTP, 1992)
    • Insoluble in water; soluble in ethanol, ether, and CS2.

  • Synonyms

    • Dibenzyl sulfide
    • BENZYL SULFIDE
    • 538-74-9
    • dibenzylsulfane
    • Dibenzyl sulphide
    • Benzyl thioether
    • Benzyl monosulfide
    • benzylsulfanylmethylbenzene
    • Dibenzyl monosulfide
    • Dibenzyl thioether
    • Sulfide, dibenzyl
    • 1,3-Diphenyl-2-thiapropane
    • dibenzylsulfide
    • benzyl sulphide
    • Benzene, 1,1'-[thiobis(methylene)]bis-
    • 1,1'-(Thiobis(methylene))bisbenzene
    • CCRIS 5969
    • NSC 212544
    • HSDB 2794
    • EINECS 208-703-6
    • Benzene, 1,1'-(thiobis(methylene))bis-
    • DTXSID6024599
    • AI3-00842
    • SULFIDE,DIBENZYL
    • 1,1'-[thiobis(methylene)]dibenzene
    • NSC-212544
    • BENZYL SULFIDE [MI]
    • BENZYL SULFIDE [HSDB]
    • DTXCID704599
    • [(Benzylsulfanyl)methyl]benzene
    • Q08048624M
    • 1,1'-(thiobis(methylene))dibenzene
    • Benzene,1'-[thiobis(methylene)]bis-
    • BENZENE, 1-1'-(THIOBIS(METHYLENE))BIS-
    • BENZENE, 1-1'-[THIOBIS(METHYLENE)]BIS-
    • MFCD00004784
    • Dibenzylsulfid
    • UNII-Q08048624M
    • Sulfide, dibenzyl-
    • Benzyl sulfide (8CI)
    • 1,3Diphenyl2thiapropane
    • SCHEMBL206
    • ((Benzylthio)methyl)benzene
    • MLS002152894
    • (phenylmethylthio)methylbenzene
    • CHEMBL1369381
    • SCHEMBL11075647
    • (C6H5CH2)2S
    • NSC6648
    • (phenylmethylsulfanyl)methylbenzene
    • HMS2270O24
    • NSC-6648
    • 1,1'(Thiobis(methylene))bisbenzene
    • Tox21_200326
    • NSC212544
    • STL482503
    • AKOS003626437
    • Benzene, 1,1'(thiobis(methylene))bis
    • Dibenzyl sulfide, >=95.0% (HPLC)
    • 1,1'-(sulfanediyldimethanediyl)dibenzene
    • NCGC00091191-01
    • NCGC00091191-02
    • NCGC00257880-01
    • AC-16469
    • CAS-538-74-9
    • SMR000112558
    • DB-052416
    • B0440
    • NS00042676
    • D88649
    • A829811
    • Q10374760

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 23.08
    methanol 15.06
    isopropanol 15.02
    water 0.01
    ethyl acetate 361.87
    n-propanol 24.59
    acetone 371.67
    n-butanol 28.07
    acetonitrile 87.92
    DMF 340.5
    toluene 407.15
    isobutanol 19.57
    1,4-dioxane 784.14
    methyl acetate 238.92
    THF 1482.49
    2-butanone 289.34
    n-pentanol 32.11
    sec-butanol 20.63
    n-hexane 42.91
    ethylene glycol 3.71
    NMP 441.01
    cyclohexane 137.71
    DMSO 363.12
    n-butyl acetate 322.66
    n-octanol 28.94
    chloroform 964.0
    n-propyl acetate 222.15
    acetic acid 65.51
    dichloromethane 1146.81
    cyclohexanone 687.53
    propylene glycol 8.51
    isopropyl acetate 233.98
    DMAc 357.79
    2-ethoxyethanol 78.48
    isopentanol 34.58
    n-heptane 72.72
    ethyl formate 134.03
    1,2-dichloroethane 961.94
    n-hexanol 53.85
    2-methoxyethanol 94.68
    isobutyl acetate 172.25
    tetrachloromethane 104.24
    n-pentyl acetate 142.3
    transcutol 713.28
    n-heptanol 26.73
    ethylbenzene 169.25
    MIBK 195.75
    2-propoxyethanol 110.95
    tert-butanol 33.06
    MTBE 116.83
    2-butoxyethanol 63.05
    propionic acid 48.64
    o-xylene 172.17
    formic acid 7.11
    diethyl ether 256.89
    m-xylene 181.24
    p-xylene 168.52
    chlorobenzene 428.09
    dimethyl carbonate 154.39
    n-octane 21.91
    formamide 24.02
    cyclopentanone 981.58
    2-pentanone 299.09
    anisole 330.09
    cyclopentyl methyl ether 527.0
    gamma-butyrolactone 853.01
    1-methoxy-2-propanol 80.53
    pyridine 757.84
    3-pentanone 310.31
    furfural 580.41
    n-dodecane 13.27
    diethylene glycol 54.09
    diisopropyl ether 104.11
    tert-amyl alcohol 33.69
    acetylacetone 521.94
    n-hexadecane 16.51
    acetophenone 273.57
    methyl propionate 267.78
    isopentyl acetate 270.8
    trichloroethylene 1541.97
    n-nonanol 34.21
    cyclohexanol 76.96
    benzyl alcohol 110.31
    2-ethylhexanol 74.9
    isooctanol 29.82
    dipropyl ether 349.22
    1,2-dichlorobenzene 370.71
    ethyl lactate 65.45
    propylene carbonate 392.7
    n-methylformamide 70.56
    2-pentanol 26.28
    n-pentane 22.52
    1-propoxy-2-propanol 124.65
    1-methoxy-2-propyl acetate 339.59
    2-(2-methoxypropoxy) propanol 127.97
    mesitylene 112.77
    ε-caprolactone 468.22
    p-cymene 99.88
    epichlorohydrin 1060.79
    1,1,1-trichloroethane 604.44
    2-aminoethanol 9.96
    morpholine-4-carbaldehyde 516.71
    sulfolane 847.42
    2,2,4-trimethylpentane 15.44
    2-methyltetrahydrofuran 572.22
    n-hexyl acetate 153.31
    isooctane 14.03
    2-(2-butoxyethoxy)ethanol 162.97
    sec-butyl acetate 174.88
    tert-butyl acetate 277.8
    decalin 62.67
    glycerin 17.62
    diglyme 475.97
    acrylic acid 51.41
    isopropyl myristate 98.43
    n-butyric acid 112.48
    acetyl acetate 296.97
    di(2-ethylhexyl) phthalate 68.06
    ethyl propionate 220.92
    nitromethane 229.96
    1,2-diethoxyethane 436.82
    benzonitrile 201.83
    trioctyl phosphate 43.96
    1-bromopropane 360.59
    gamma-valerolactone 853.17
    n-decanol 28.27
    triethyl phosphate 132.38
    4-methyl-2-pentanol 27.51
    propionitrile 80.74
    vinylene carbonate 326.57
    1,1,2-trichlorotrifluoroethane 370.73
    DMS 233.6
    cumene 94.27
    2-octanol 20.76
    2-hexanone 213.98
    octyl acetate 95.49
    limonene 170.1
    1,2-dimethoxyethane 392.45
    ethyl orthosilicate 126.32
    tributyl phosphate 67.89
    diacetone alcohol 161.04
    N,N-dimethylaniline 194.8
    acrylonitrile 110.75
    aniline 184.72
    1,3-propanediol 20.12
    bromobenzene 608.21
    dibromomethane 730.31
    1,1,2,2-tetrachloroethane 1123.81
    2-methyl-cyclohexyl acetate 207.11
    tetrabutyl urea 99.96
    diisobutyl methanol 66.56
    2-phenylethanol 115.02
    styrene 250.79
    dioctyl adipate 155.33
    dimethyl sulfate 249.03
    ethyl butyrate 317.52
    methyl lactate 70.32
    butyl lactate 78.44
    diethyl carbonate 196.03
    propanediol butyl ether 48.33
    triethyl orthoformate 220.07
    p-tert-butyltoluene 95.29
    methyl 4-tert-butylbenzoate 171.37
    morpholine 516.1
    tert-butylamine 26.76
    n-dodecanol 25.72
    dimethoxymethane 363.92
    ethylene carbonate 279.88
    cyrene 151.86
    2-ethoxyethyl acetate 237.86
    2-ethylhexyl acetate 240.84
    1,2,4-trichlorobenzene 438.36
    4-methylpyridine 524.66
    dibutyl ether 204.77
    2,6-dimethyl-4-heptanol 66.56
    DEF 331.08
    dimethyl isosorbide 386.93
    tetrachloroethylene 629.45
    eugenol 128.56
    triacetin 213.29
    span 80 105.27
    1,4-butanediol 9.88
    1,1-dichloroethane 507.76
    2-methyl-1-pentanol 41.66
    methyl formate 99.52
    2-methyl-1-butanol 29.97
    n-decane 23.99
    butyronitrile 95.27
    3,7-dimethyl-1-octanol 52.72
    1-chlorooctane 83.87
    1-chlorotetradecane 38.78
    n-nonane 24.33
    undecane 16.83
    tert-butylcyclohexane 42.44
    cyclooctane 58.18
    cyclopentanol 77.34
    tetrahydropyran 665.05
    tert-amyl methyl ether 119.84
    2,5,8-trioxanonane 305.9
    1-hexene 111.2
    2-isopropoxyethanol 71.94
    2,2,2-trifluoroethanol 25.21
    methyl butyrate 272.79

    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