Dihexyl thioether

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  • Identifiers

    CAS number
    6294-31-1

    Molecular formula
    C12H26S

    SMILES
    CCCCCCSCCCCCC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 80.21%
    Green 78.01%
    Vegetable 66.35%
    Meaty 64.11%
    Alliaceous 61.48%
    Savory 54.31%
    Onion 53.49%
    Tropical 49.53%
    Fatty 45.7%
    Fruity 45.32%

     

    Flavor
    Sulfurous 32.25%
    Waxy 26.83%
    Onion 26.32%
    Green 26.27%
    Violet-leaf 25.93%
    Fatty 25.03%
    Skunky 24.76%
    Herbal 24.24%
    Alkane 24.07%
    Glue 23.23%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.5

    pKa est.
    7.25 (neutral)

    Molecular weight
    202.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    263°C

    Flash point

    • 119.26 ˚C est.

  • Synonyms

    • 6294-31-1
    • Di-n-hexyl sulfide
    • Hexyl sulfide
    • Hexane, 1,1'-thiobis-
    • Dihexyl sulfide
    • 7-Thiatridecane
    • Dihexyl sulphide
    • dihexyl thioether
    • QGW37917VO
    • NSC 9287
    • NSC-9287
    • EINECS 228-556-1
    • SFI-6R
    • AI3-18868
    • 1,1'-THIOBIS(HEXANE)
    • DTXSID0064206
    • Hexyl sulfide (8CI)
    • RefChem:587646
    • DTXCID1043592
    • n-Hexyl sulfide
    • Di-n-hexylsulfide
    • 1-hexylsulfanylhexane
    • 1-(Hexylsulfanyl)hexane
    • dihexylsulfane
    • MFCD00009528
    • hexylthiohexane
    • Normal-hexyl sulfide
    • Hexane,1'-thiobis-
    • Hexyl sulfide, 95%
    • 1-(Hexylsulfanyl)hexane #
    • UNII-QGW37917VO
    • SCHEMBL577358
    • SCHEMBL5846479
    • SCHEMBL5995255
    • SCHEMBL5995259
    • SCHEMBL11801352
    • NSC9287
    • SBB061018
    • AKOS015897594
    • AS-56669
    • DB-054340
    • CS-0317453
    • H0377
    • NS00035227
    • ST51047098
    • D90851
    • F722092
    • Q1207807
    • 6294-31-1

  • Applications

    Dihexyl thioether, CAS 6294-31-1, is primarily used as an organic synthesis intermediate and as a non-polar solvent for industrial processes. It can be used as a solvent or processing aid for low-solubility systems and is considered a component in lubricant formulations or additives for plastics and polymers to improve processability. In coatings and inks, dihexyl thioether may be evaluated as a processing solvent or additive for resin and film-forming formulations. Its use is subject to local regulations and formulation limits, and it should be handled and used in accordance with applicable safety guidelines.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1588.71
    methanol 580.54
    isopropanol 2248.88
    water 0.01
    ethyl acetate 8011.66
    n-propanol 2253.43
    acetone 8317.12
    n-butanol 3183.14
    acetonitrile 1994.22
    DMF 2938.91
    toluene 6093.23
    isobutanol 2234.36
    1,4-dioxane 10320.31
    methyl acetate 4148.05
    THF 21513.12
    2-butanone 7312.07
    n-pentanol 2353.08
    sec-butanol 2870.39
    n-hexane 7467.91
    ethylene glycol 62.24
    NMP 4216.93
    cyclohexane 19182.13
    DMSO 4952.95
    n-butyl acetate 15509.27
    n-octanol 2188.06
    chloroform 11392.33
    n-propyl acetate 6650.93
    acetic acid 1103.31
    dichloromethane 11118.11
    cyclohexanone 15989.41
    propylene glycol 219.31
    isopropyl acetate 6480.44
    DMAc 2876.02
    2-ethoxyethanol 2022.37
    isopentanol 3594.52
    n-heptane 12761.42
    ethyl formate 2281.71
    1,2-dichloroethane 9820.18
    n-hexanol 5096.15
    2-methoxyethanol 2256.18
    isobutyl acetate 4351.16
    tetrachloromethane 3717.58
    n-pentyl acetate 6275.54
    transcutol 9559.65
    n-heptanol 2206.12
    ethylbenzene 2829.73
    MIBK 5707.29
    2-propoxyethanol 4286.33
    tert-butanol 4583.08
    MTBE 10293.02
    2-butoxyethanol 2612.81
    propionic acid 1314.34
    o-xylene 3180.25
    formic acid 53.63
    diethyl ether 13358.53
    m-xylene 3283.25
    p-xylene 3604.16
    chlorobenzene 5154.32
    dimethyl carbonate 865.3
    n-octane 2817.75
    formamide 142.6
    cyclopentanone 12340.88
    2-pentanone 9469.72
    anisole 3404.07
    cyclopentyl methyl ether 14033.2
    gamma-butyrolactone 7544.88
    1-methoxy-2-propanol 2531.68
    pyridine 8643.87
    3-pentanone 6511.72
    furfural 4252.98
    n-dodecane 955.22
    diethylene glycol 1000.92
    diisopropyl ether 6434.34
    tert-amyl alcohol 4144.23
    acetylacetone 6328.45
    n-hexadecane 1191.22
    acetophenone 2826.5
    methyl propionate 3750.92
    isopentyl acetate 10867.47
    trichloroethylene 11544.55
    n-nonanol 2153.83
    cyclohexanol 6091.72
    benzyl alcohol 1589.69
    2-ethylhexanol 5786.05
    isooctanol 2289.0
    dipropyl ether 20788.98
    1,2-dichlorobenzene 4177.58
    ethyl lactate 1027.54
    propylene carbonate 4231.41
    n-methylformamide 838.09
    2-pentanol 3463.26
    n-pentane 5240.49
    1-propoxy-2-propanol 5910.33
    1-methoxy-2-propyl acetate 6228.92
    2-(2-methoxypropoxy) propanol 1729.62
    mesitylene 2525.64
    ε-caprolactone 9356.94
    p-cymene 3250.97
    epichlorohydrin 9553.29
    1,1,1-trichloroethane 12772.47
    2-aminoethanol 263.31
    morpholine-4-carbaldehyde 4261.64
    sulfolane 8023.57
    2,2,4-trimethylpentane 1684.9
    2-methyltetrahydrofuran 18067.92
    n-hexyl acetate 5893.16
    isooctane 1592.87
    2-(2-butoxyethoxy)ethanol 2824.13
    sec-butyl acetate 5219.3
    tert-butyl acetate 8041.26
    decalin 3553.78
    glycerin 246.56
    diglyme 7127.26
    acrylic acid 662.95
    isopropyl myristate 2774.28
    n-butyric acid 4098.73
    acetyl acetate 3583.94
    di(2-ethylhexyl) phthalate 1020.17
    ethyl propionate 5188.54
    nitromethane 2307.03
    1,2-diethoxyethane 12958.47
    benzonitrile 3017.88
    trioctyl phosphate 1083.87
    1-bromopropane 12211.94
    gamma-valerolactone 8991.22
    n-decanol 1578.67
    triethyl phosphate 2603.41
    4-methyl-2-pentanol 2268.82
    propionitrile 3005.72
    vinylene carbonate 2630.46
    1,1,2-trichlorotrifluoroethane 3605.49
    DMS 2133.77
    cumene 1828.87
    2-octanol 1976.41
    2-hexanone 7350.82
    octyl acetate 2771.48
    limonene 7857.82
    1,2-dimethoxyethane 7594.43
    ethyl orthosilicate 3063.99
    tributyl phosphate 1607.39
    diacetone alcohol 4115.1
    N,N-dimethylaniline 2339.17
    acrylonitrile 2035.62
    aniline 3104.09
    1,3-propanediol 743.29
    bromobenzene 6985.13
    dibromomethane 10246.12
    1,1,2,2-tetrachloroethane 11434.18
    2-methyl-cyclohexyl acetate 5127.59
    tetrabutyl urea 2173.32
    diisobutyl methanol 4359.7
    2-phenylethanol 2335.71
    styrene 3731.64
    dioctyl adipate 2727.68
    dimethyl sulfate 1323.27
    ethyl butyrate 10710.76
    methyl lactate 723.77
    butyl lactate 2342.8
    diethyl carbonate 4603.84
    propanediol butyl ether 1310.95
    triethyl orthoformate 7249.89
    p-tert-butyltoluene 3310.17
    methyl 4-tert-butylbenzoate 2206.98
    morpholine 10839.14
    tert-butylamine 4874.95
    n-dodecanol 1272.07
    dimethoxymethane 3698.66
    ethylene carbonate 3210.49
    cyrene 1283.38
    2-ethoxyethyl acetate 4810.3
    2-ethylhexyl acetate 10240.8
    1,2,4-trichlorobenzene 4142.01
    4-methylpyridine 7656.88
    dibutyl ether 11928.3
    2,6-dimethyl-4-heptanol 4359.7
    DEF 6601.46
    dimethyl isosorbide 3832.86
    tetrachloroethylene 6777.59
    eugenol 1423.37
    triacetin 2989.9
    span 80 2083.97
    1,4-butanediol 287.87
    1,1-dichloroethane 9904.93
    2-methyl-1-pentanol 2540.01
    methyl formate 737.08
    2-methyl-1-butanol 2872.68
    n-decane 2282.95
    butyronitrile 5523.35
    3,7-dimethyl-1-octanol 3211.48
    1-chlorooctane 4489.46
    1-chlorotetradecane 1514.14
    n-nonane 2799.81
    undecane 1374.06
    tert-butylcyclohexane 2783.7
    cyclooctane 5996.99
    cyclopentanol 4436.02
    tetrahydropyran 23535.61
    tert-amyl methyl ether 7081.25
    2,5,8-trioxanonane 3545.73
    1-hexene 10079.29
    2-isopropoxyethanol 2103.87
    2,2,2-trifluoroethanol 262.72
    methyl butyrate 6960.38

    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