Sulfolane

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  • Identifiers

    CAS number
    126-33-0

    Molecular formula
    C4H8O2S

    SMILES
    C1CCS(=O)(=O)C1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 53.31%
    Roasted 29.62%
    Burnt 26.2%
    Nutty 22.82%
    Pungent 21.46%
    Sulfurous 21.34%
    Cooked 20.01%
    Savory 19.5%
    Popcorn 18.98%
    Caramellic 18.43%

     

    Flavor
    Bitter 55.33%
    Sulfur 25.44%
    Clam 21.76%
    Shrimp 21.48%
    Taco 21.05%
    Alkaline 20.72%
    Others 20.57%
    Nitrile 20.42%
    Gooseberry 19.81%
    Formyl 19.8%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.8

    pKa est.
    8.54 (weak base)

    Molecular weight
    120.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 79 °F (USCG, 1999)
    • 27.4-27.8 °C

    Boiling point

    • 545 °F at 760 mmHg (USCG, 1999)
    • 285 °C

    Flash point

    • 136.76 ˚C est.
    • 330 °F (USCG, 1999)
    • 177 °C (350 °F) (OPEN CUP)

    Solubility expt.

    • Partially miscible with octanes, olefins, naphthenes; miscible with water, Acetone, toluene at 30 °C
    • Freely soluble in alcohol, soluble in dilute mineral acids

  • Synonyms

    • SULFOLANE
    • 126-33-0
    • Tetramethylene sulfone
    • Tetrahydrothiophene 1,1-dioxide
    • Sulfolan
    • 1,1-Dioxothiolan
    • Sulpholane
    • Thiophene, tetrahydro-, 1,1-dioxide
    • Sulfalone
    • Sulphoxaline
    • thiolane 1,1-dioxide
    • Dioxothiolan
    • Thiophan sulfone
    • Bondelane A
    • Bondolane A
    • Thiophane dioxide
    • Thiacyclopentane dioxide
    • Cyclotetramethylene sulfone
    • Tetrahydrothiophene dioxide
    • Dihydrobutadiene sulfone
    • Thiolane-1,1-dioxide
    • Cyclic tetramethylene sulfone
    • 1,1-Dioxidetetrahydrothiophene
    • Dihydrobutadiene sulphone
    • 1,1-Dioxidetetrahydrothiofuran
    • Tetrahydrothiophene 1-dioxide
    • Thiocyclopentane-1,1-dioxide
    • 2,3,4,5-Tetrahydrothiophene-1,1-dioxide
    • Tetrahydrothiofen-1,1-dioxid
    • NSC 46443
    • CCRIS 2310
    • HSDB 122
    • DTXSID3027037
    • EINECS 204-783-1
    • MFCD00005484
    • Tetrahydrothiofen-1,1-dioxid [Czech]
    • BRN 0107765
    • Y5L06AH4G5
    • CHEBI:74794
    • AI3-09541
    • SULFOLANE [MI]
    • SULFOLANE [HSDB]
    • NSC-46443
    • SULFOLANE [USP-RS]
    • TETRAHYDROTHIOPHENE-1,1-DIOXIDE
    • DTXCID407037
    • (CH2)4SO2
    • EC 204-783-1
    • 5-17-01-00039 (Beilstein Handbook Reference)
    • SULFOLANE (USP-RS)
    • 1-Thiolane-1,1-dione
    • Bondelane A; Bondolane A; Cyclic tetramethylene sulfone; Cyclotetramethylene sulfone; NSC 46443
    • tetrahydro-thiophene-1,1-dioxide
    • 1??-thiolane-1,1-dione
    • sulpholan
    • UNII-Y5L06AH4G5
    • 1lambda6-thiolane-1,1-dione
    • 1,1Dioxothiolan
    • tetramethylenesulfone
    • Thiolane1,1dioxide
    • tetramethylene sufone
    • tetramethylenesulphone
    • Sulfolane, 99%
    • tetramethylene-sulfone
    • tetramethylene sulphone
    • tetramethylene-sulphone
    • SULFOLANE-W
    • Thiophane 1,1-dioxide
    • WLN: T5SWTJ
    • Tetrahydrothiofen1,1dioxid
    • Thiocyclopentane1,1dioxide
    • SCHEMBL14301
    • 1,1Dioxidetetrahydrothiofuran
    • 1,1Dioxidetetrahydrothiophene
    • Sulfolane, analytical standard
    • Tetrahydrothiophene 1,1dioxide
    • Tetrahydothiophene-1,1-dioxide
    • tetrahydrothiophen-1,1-dioxide
    • tetrahydrothiophene-S,S-dioxide
    • 1,1-Dioxide tetrahydrothiofuran
    • CHEMBL3186899
    • Sulfolane, redistilled from glass
    • tetra-hydrothiophene-1,1-dioxide
    • Tetrahydrothiophene, 1,1-dioxide
    • Thiophene, tetrahydro, 1,1dioxide
    • NSC46443
    • Thiophene, 1,1-dioxide-tetrahydro-
    • Tox21_200628
    • STL268898
    • AKOS002676003
    • AKOS015955444
    • Residual Solvent Class 2 - Sulfolane
    • Sulfolane, purum, >=98.0% (GC)
    • 2,3,4,5Tetrahydrothiophene1,1dioxide
    • FS32813
    • 2,4,5-Tetrahydrothiophene-1,1-dioxide
    • NCGC00248771-01
    • NCGC00258182-01
    • CAS-126-33-0
    • PS-11978
    • DB-038059
    • CS-0020029
    • NS00001349
    • T0115
    • EN300-18394
    • D78046
    • Q416239
    • F1294-0027
    • 204-783-1
    • QXB

  • Applications

    Sulfolane (CAS 126-33-0) is a polar, high-boiling solvent widely used in petrochemical and organic synthesis applications as a solvent and reaction medium for extractive distillation processes to remove aromatics such as benzene, toluene, and xylene from naphtha or gas streams; it also serves as a reaction medium for various organic reactions and polymerizations at elevated temperatures. In the electronics and energy space, sulfolane is used as an electrolyte solvent in high-temperature lithium batteries and is being evaluated for related electrochemical applications. It is also employed in industrial cleaning and precision component degreasing, as well as considered as a solvent for specialty resins and coatings/adhesives formulations due to its high solvating power and thermal stability.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 108.15
    methanol 240.28
    isopropanol 56.54
    water 32.17
    ethyl acetate 64.09
    n-propanol 62.59
    acetone 163.35
    n-butanol 48.38
    acetonitrile 153.66
    DMF 269.93
    toluene 17.35
    isobutanol 40.0
    1,4-dioxane 118.66
    methyl acetate 105.49
    THF 117.44
    2-butanone 106.99
    n-pentanol 41.68
    sec-butanol 51.58
    n-hexane 4.94
    ethylene glycol 88.27
    NMP 273.72
    cyclohexane 7.86
    DMSO 237.27
    n-butyl acetate 56.39
    n-octanol 56.67
    chloroform 176.26
    n-propyl acetate 58.93
    acetic acid 194.72
    dichloromethane 137.66
    cyclohexanone 145.88
    propylene glycol 74.48
    isopropyl acetate 46.45
    DMAc 234.49
    2-ethoxyethanol 114.71
    isopentanol 39.94
    n-heptane 6.44
    ethyl formate 78.8
    1,2-dichloroethane 79.18
    n-hexanol 47.54
    2-methoxyethanol 178.98
    isobutyl acetate 37.68
    tetrachloromethane 21.24
    n-pentyl acetate 55.55
    transcutol 379.44
    n-heptanol 37.26
    ethylbenzene 18.01
    MIBK 48.42
    2-propoxyethanol 105.47
    tert-butanol 55.41
    MTBE 39.98
    2-butoxyethanol 84.74
    propionic acid 111.53
    o-xylene 22.96
    formic acid 197.88
    diethyl ether 40.08
    m-xylene 18.52
    p-xylene 29.08
    chlorobenzene 51.41
    dimethyl carbonate 48.28
    n-octane 4.2
    formamide 268.36
    cyclopentanone 177.24
    2-pentanone 67.96
    anisole 64.04
    cyclopentyl methyl ether 49.1
    gamma-butyrolactone 217.77
    1-methoxy-2-propanol 115.46
    pyridine 101.96
    3-pentanone 59.8
    furfural 275.7
    n-dodecane 4.87
    diethylene glycol 127.22
    diisopropyl ether 16.62
    tert-amyl alcohol 54.81
    acetylacetone 125.28
    n-hexadecane 5.3
    acetophenone 97.8
    methyl propionate 63.11
    isopentyl acetate 53.0
    trichloroethylene 191.95
    n-nonanol 48.21
    cyclohexanol 50.15
    benzyl alcohol 64.68
    2-ethylhexanol 34.13
    isooctanol 30.73
    dipropyl ether 30.95
    1,2-dichlorobenzene 70.55
    ethyl lactate 55.39
    propylene carbonate 130.63
    n-methylformamide 170.41
    2-pentanol 33.76
    n-pentane 4.85
    1-propoxy-2-propanol 77.17
    1-methoxy-2-propyl acetate 73.16
    2-(2-methoxypropoxy) propanol 115.75
    mesitylene 16.2
    ε-caprolactone 122.71
    p-cymene 22.93
    epichlorohydrin 145.37
    1,1,1-trichloroethane 62.46
    2-aminoethanol 98.62
    morpholine-4-carbaldehyde 267.32
    sulfolane 255.67
    2,2,4-trimethylpentane 4.59
    2-methyltetrahydrofuran 74.06
    n-hexyl acetate 86.08
    isooctane 3.41
    2-(2-butoxyethoxy)ethanol 147.88
    sec-butyl acetate 39.93
    tert-butyl acetate 54.87
    decalin 6.82
    glycerin 132.69
    diglyme 239.57
    acrylic acid 144.13
    isopropyl myristate 37.18
    n-butyric acid 96.56
    acetyl acetate 72.08
    di(2-ethylhexyl) phthalate 46.06
    ethyl propionate 48.05
    nitromethane 349.28
    1,2-diethoxyethane 81.86
    benzonitrile 96.51
    trioctyl phosphate 32.13
    1-bromopropane 31.44
    gamma-valerolactone 242.71
    n-decanol 36.1
    triethyl phosphate 36.04
    4-methyl-2-pentanol 25.51
    propionitrile 74.34
    vinylene carbonate 139.0
    1,1,2-trichlorotrifluoroethane 182.57
    DMS 80.48
    cumene 17.88
    2-octanol 31.73
    2-hexanone 64.85
    octyl acetate 49.15
    limonene 31.02
    1,2-dimethoxyethane 157.08
    ethyl orthosilicate 33.08
    tributyl phosphate 40.92
    diacetone alcohol 85.68
    N,N-dimethylaniline 52.9
    acrylonitrile 130.47
    aniline 44.07
    1,3-propanediol 90.05
    bromobenzene 42.03
    dibromomethane 82.42
    1,1,2,2-tetrachloroethane 150.06
    2-methyl-cyclohexyl acetate 56.77
    tetrabutyl urea 58.84
    diisobutyl methanol 24.27
    2-phenylethanol 65.16
    styrene 23.58
    dioctyl adipate 60.3
    dimethyl sulfate 97.95
    ethyl butyrate 50.68
    methyl lactate 78.79
    butyl lactate 68.86
    diethyl carbonate 40.64
    propanediol butyl ether 132.61
    triethyl orthoformate 42.14
    p-tert-butyltoluene 21.16
    methyl 4-tert-butylbenzoate 89.27
    morpholine 115.37
    tert-butylamine 34.76
    n-dodecanol 27.88
    dimethoxymethane 101.43
    ethylene carbonate 96.23
    cyrene 110.7
    2-ethoxyethyl acetate 84.2
    2-ethylhexyl acetate 43.36
    1,2,4-trichlorobenzene 87.4
    4-methylpyridine 86.98
    dibutyl ether 39.53
    2,6-dimethyl-4-heptanol 24.27
    DEF 91.19
    dimethyl isosorbide 145.48
    tetrachloroethylene 101.72
    eugenol 102.39
    triacetin 125.18
    span 80 100.84
    1,4-butanediol 50.96
    1,1-dichloroethane 65.34
    2-methyl-1-pentanol 38.37
    methyl formate 141.9
    2-methyl-1-butanol 39.31
    n-decane 7.28
    butyronitrile 59.04
    3,7-dimethyl-1-octanol 47.14
    1-chlorooctane 26.59
    1-chlorotetradecane 12.74
    n-nonane 6.72
    undecane 5.73
    tert-butylcyclohexane 5.89
    cyclooctane 3.58
    cyclopentanol 61.03
    tetrahydropyran 63.43
    tert-amyl methyl ether 36.49
    2,5,8-trioxanonane 172.11
    1-hexene 15.48
    2-isopropoxyethanol 76.27
    2,2,2-trifluoroethanol 123.97
    methyl butyrate 68.95

    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