Ethane, 1,1-bis(ethylthio)-

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  • Identifiers

    CAS number
    14252-42-7

    Molecular formula
    C6H14S2

    SMILES
    CCSC(C)SCC

  • Odor profile

    Sulfurous 78.99%
    Fruity 68.09%
    Meaty 66.64%
    Onion 58.24%
    Tropical 55.82%
    Alliaceous 53.54%
    Garlic 50.93%
    Savory 49.03%
    Roasted 48.12%
    Burnt 43.12%

    Scent© AI

  • Properties

    XLogP3-AA
    2.8

    Molecular weight
    150.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    193°C

    Flash point est.
    68.3 ˚C

  • Synonyms

    • Ethane, 1,1-bis(ethylthio)-
    • 14252-42-7
    • 1,1-Bis(ethylsulfanyl)ethane
    • Formaldehyde diethylthioacetal
    • Acetaldehyde diethyl mercaptal
    • Acetaldehyde, diethyl mercaptal
    • 1,1-bis(Ethylthio)ethane
    • 4-Methyl-3,5-dithiaheptane
    • DTXSID60162072
    • NSC 94806
    • Ethane,1,1-bis(ethylthio)-
    • Ethane,1-bis(ethylthio)-
    • SCHEMBL9435427
    • DTXCID0084563
    • NSC94806
    • NSC-94806
    • DS-007536
    • NS00120700

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 621.86
    methanol 358.78
    isopropanol 656.74
    water 0.14
    ethyl acetate 1411.39
    n-propanol 727.03
    acetone 1637.59
    n-butanol 847.22
    acetonitrile 1017.06
    DMF 1182.45
    toluene 1485.66
    isobutanol 644.64
    1,4-dioxane 2756.34
    methyl acetate 1159.17
    THF 4716.36
    2-butanone 1570.7
    n-pentanol 506.04
    sec-butanol 776.62
    n-hexane 609.24
    ethylene glycol 63.26
    NMP 2093.82
    cyclohexane 1703.1
    DMSO 1249.24
    n-butyl acetate 2750.24
    n-octanol 732.49
    chloroform 3804.35
    n-propyl acetate 1028.94
    acetic acid 564.53
    dichloromethane 3163.77
    cyclohexanone 3971.55
    propylene glycol 150.08
    isopropyl acetate 964.03
    DMAc 921.35
    2-ethoxyethanol 491.99
    isopentanol 702.06
    n-heptane 1612.94
    ethyl formate 862.56
    1,2-dichloroethane 2045.84
    n-hexanol 1317.68
    2-methoxyethanol 765.16
    isobutyl acetate 697.61
    tetrachloromethane 1313.43
    n-pentyl acetate 1322.47
    transcutol 1524.62
    n-heptanol 686.48
    ethylbenzene 575.19
    MIBK 833.19
    2-propoxyethanol 1200.76
    tert-butanol 949.91
    MTBE 1328.47
    2-butoxyethanol 702.08
    propionic acid 641.7
    o-xylene 768.72
    formic acid 65.44
    diethyl ether 1791.99
    m-xylene 840.54
    p-xylene 744.59
    chlorobenzene 1637.97
    dimethyl carbonate 313.26
    n-octane 438.85
    formamide 122.91
    cyclopentanone 3667.94
    2-pentanone 1532.34
    anisole 886.78
    cyclopentyl methyl ether 2445.33
    gamma-butyrolactone 2895.5
    1-methoxy-2-propanol 696.07
    pyridine 2423.79
    3-pentanone 1268.5
    furfural 1928.57
    n-dodecane 215.1
    diethylene glycol 450.59
    diisopropyl ether 688.1
    tert-amyl alcohol 873.38
    acetylacetone 1282.0
    n-hexadecane 258.27
    acetophenone 785.87
    methyl propionate 924.96
    isopentyl acetate 1861.86
    trichloroethylene 3162.46
    n-nonanol 627.3
    cyclohexanol 1598.17
    benzyl alcohol 539.71
    2-ethylhexanol 1231.35
    isooctanol 553.77
    dipropyl ether 2443.08
    1,2-dichlorobenzene 1368.6
    ethyl lactate 295.67
    propylene carbonate 1708.92
    n-methylformamide 488.15
    2-pentanol 706.48
    n-pentane 589.99
    1-propoxy-2-propanol 1338.32
    1-methoxy-2-propyl acetate 1317.56
    2-(2-methoxypropoxy) propanol 560.1
    mesitylene 589.01
    ε-caprolactone 2727.96
    p-cymene 821.6
    epichlorohydrin 2496.06
    1,1,1-trichloroethane 2750.17
    2-aminoethanol 159.49
    morpholine-4-carbaldehyde 1692.55
    sulfolane 2861.72
    2,2,4-trimethylpentane 244.5
    2-methyltetrahydrofuran 3782.04
    n-hexyl acetate 1479.8
    isooctane 206.1
    2-(2-butoxyethoxy)ethanol 759.68
    sec-butyl acetate 700.59
    tert-butyl acetate 1096.71
    decalin 452.93
    glycerin 167.36
    diglyme 1651.66
    acrylic acid 445.21
    isopropyl myristate 676.86
    n-butyric acid 1203.0
    acetyl acetate 822.72
    di(2-ethylhexyl) phthalate 433.12
    ethyl propionate 804.9
    nitromethane 943.08
    1,2-diethoxyethane 1546.38
    benzonitrile 1227.82
    trioctyl phosphate 410.45
    1-bromopropane 1906.15
    gamma-valerolactone 3064.43
    n-decanol 451.32
    triethyl phosphate 605.4
    4-methyl-2-pentanol 389.62
    propionitrile 1134.83
    vinylene carbonate 1401.52
    1,1,2-trichlorotrifluoroethane 1113.63
    DMS 678.49
    cumene 368.61
    2-octanol 596.69
    2-hexanone 1103.79
    octyl acetate 759.9
    limonene 1625.03
    1,2-dimethoxyethane 1438.88
    ethyl orthosilicate 619.8
    tributyl phosphate 516.26
    diacetone alcohol 791.89
    N,N-dimethylaniline 532.69
    acrylonitrile 964.81
    aniline 982.07
    1,3-propanediol 349.64
    bromobenzene 1986.86
    dibromomethane 2608.27
    1,1,2,2-tetrachloroethane 2667.76
    2-methyl-cyclohexyl acetate 1160.68
    tetrabutyl urea 699.0
    diisobutyl methanol 810.64
    2-phenylethanol 813.91
    styrene 797.61
    dioctyl adipate 754.56
    dimethyl sulfate 474.7
    ethyl butyrate 1829.94
    methyl lactate 298.39
    butyl lactate 693.26
    diethyl carbonate 957.83
    propanediol butyl ether 494.71
    triethyl orthoformate 1217.65
    p-tert-butyltoluene 770.15
    methyl 4-tert-butylbenzoate 760.93
    morpholine 2654.25
    tert-butylamine 751.37
    n-dodecanol 365.69
    dimethoxymethane 884.18
    ethylene carbonate 1344.31
    cyrene 578.25
    2-ethoxyethyl acetate 1105.53
    2-ethylhexyl acetate 1775.24
    1,2,4-trichlorobenzene 1497.28
    4-methylpyridine 2316.06
    dibutyl ether 1589.14
    2,6-dimethyl-4-heptanol 810.64
    DEF 1424.32
    dimethyl isosorbide 1373.0
    tetrachloroethylene 1752.16
    eugenol 571.58
    triacetin 808.0
    span 80 708.23
    1,4-butanediol 150.54
    1,1-dichloroethane 2289.46
    2-methyl-1-pentanol 475.91
    methyl formate 442.52
    2-methyl-1-butanol 711.72
    n-decane 414.65
    butyronitrile 1506.23
    3,7-dimethyl-1-octanol 716.93
    1-chlorooctane 989.44
    1-chlorotetradecane 380.61
    n-nonane 495.31
    undecane 279.89
    tert-butylcyclohexane 362.16
    cyclooctane 668.7
    cyclopentanol 1539.1
    tetrahydropyran 3980.44
    tert-amyl methyl ether 1080.86
    2,5,8-trioxanonane 1004.39
    1-hexene 1088.45
    2-isopropoxyethanol 423.05
    2,2,2-trifluoroethanol 185.7
    methyl butyrate 1136.42

    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