1,3-Propane Sultone

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  • Identifiers

    CAS number
    1120-71-4

    Molecular formula
    C3H6O3S

    SMILES
    C1COS(=O)(=O)C1

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Odorless 75.54%
    Burnt 21.5%
    Roasted 19.53%
    Sulfurous 18.08%
    Cooked 16.34%
    Savory 15.93%
    Nutty 15.86%
    Caramellic 15.51%
    Pungent 15.44%
    Sharp 13.11%

     

    Flavor
    Bitter 63.72%
    Sulfur 23.68%
    Clam 20.56%
    Taco 20.54%
    Shrimp 20.38%
    Nitrile 19.93%
    Alkaline 19.78%
    Formyl 19.65%
    Others 19.45%
    Bouillon 19.13%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    -0.2

    pKa est.
    9.17 (weak base)

    Molecular weight
    122.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 86 °F (NIOSH, 2024)
    • 31 °C
    • 86 °F

    Boiling point

    • 180 °C at 0.039 atm.

    Flash point

    • 129.06 ˚C est.
    • greater than 235 °F (NIOSH, 2024)
    • Flash point > 235 °F
    • >110 °C
    • >235 °F

    Solubility expt.

    • 10 % (NIOSH, 2024)
    • READILY SOL IN KETONES, ESTERS & AROMATIC HYDROCARBONS
    • INSOL IN ALIPHATIC HYDROCARBONS
    • SOL IN WATER (100 G/L)
    • Solubility in water, g/100ml: 10 (moderate)
    • 10%

  • Synonyms

    • 1,3-Propanesultone
    • 1120-71-4
    • 1,3-PROPANE SULTONE
    • Propane sultone
    • 1,2-oxathiolane 2,2-dioxide
    • 1,2-Oxathiolane, 2,2-dioxide
    • Propanesultone
    • oxathiolane 2,2-dioxide
    • PROPYL SULTONE
    • .gamma.-Propane sultone
    • RCRA waste number U193
    • CCRIS 535
    • NSC 42386
    • 1,2-Oxathrolane 2,2-dioxide
    • HSDB 1673
    • UNII-L6NTK7VJX9
    • L6NTK7VJX9
    • EINECS 214-317-9
    • 3-Hydroxy-1-propanesulfonic acid gamma-sultone
    • BRN 0109782
    • 1,3-Propanesulfonate
    • DTXSID8021195
    • 3-Hydroxy-1-propanesulphonic acid sultone
    • 1,3-TRIMETHYLENE SULTONE
    • AI3-26990
    • MFCD00005355
    • NSC-42386
    • 3-Hydroxy-1-propanesulfonic acid, sultone
    • DTXCID001195
    • CHEBI:82370
    • EC 214-317-9
    • 1,2lambda6-oxathiolane-2,2-dione
    • 3-Hydroxy-1-propanesulfonic acid .gamma.-sultone
    • 5-19-01-00005 (Beilstein Handbook Reference)
    • NSC42386
    • 1,3-PROPANE SULTONE [HSDB]
    • 1,3-PROPANE SULTONE [IARC]
    • 1-Propanesulfonic acid, 3-hydroxy-, .gamma.-sultone
    • 1,3-PROPANE SULTONE (IARC)
    • CAS-1120-71-4
    • RCRA waste no. U193
    • 1,3propanesultone
    • 3-HYDROXY-1-PROPANESULFONIC ACID SULTONE
    • 1,3propane sultone
    • 1-Propanesulfonic acid, 3-hydroxy-, gamma-sultone
    • propane-1,3-sultone
    • 3-Hydroxypropanesulfonic acid gamma-sultone
    • WLN: T5OSWTJ
    • 1,2-OXATHROLANE
    • Propane sultone (ACGIH)
    • 3Hydroxythietane1,1Dioxide
    • 1,2Oxathrolane 2,2dioxide
    • SCHEMBL46068
    • 1,3-Propanesultone, 98%
    • 1,2-Oxathrolane2,2-dioxide
    • 1,2Oxathiolane, 2,2dioxide
    • 1,2-oxathiolane-2,2-dioxide
    • 1,3-Propanesultone, >=99%
    • CHEMBL3185243
    • [1,2]oxathiolane 2,2-dioxide
    • Tox21_201419
    • Tox21_300066
    • BBL036695
    • STL559074
    • 3Hydroxy1propanesulphonic acid sultone
    • AKOS000119611
    • CS-W011195
    • FP27191
    • GS-6714
    • HY-W010479
    • 3-Hydroxypropanesulfonic acid ?-sultone
    • 1-Propanesulfonic acid, .gamma.-sultone
    • NCGC00247894-01
    • NCGC00247894-02
    • NCGC00254117-01
    • NCGC00258970-01
    • 3-Hydroxy-1-propanesulphonic acid sulfone
    • 3Hydroxy1propanesulfonic acid gammasultone
    • BP-21435
    • 3-hydroxy-1-propanesulfonic acid w-sultone
    • NS00002915
    • P0324
    • 1Propanesulfonic acid, 3hydroxy, gammasultone
    • EN300-21242
    • C19296
    • D77717
    • 1-Propanesulfonic acid, 3-hydroxy-gamma-sultone
    • 1-Propanesulfonic acid, 3-hydroxy-.gamma.-sultone
    • Q1933902
    • F0001-0265
    • 1,3-Propanesultone, >=99%, acid <200 ppm, H2O <100 ppm
    • 3-Hydroxy-1-propanesulfonic acid ?-sultone;2,2-Dioxide 1,2-oxathiolane;1,3-Trimethylene sultone

  • Applications

    1,3-Propane Sultone (CAS 1120-71-4) is a reactive organic intermediate used primarily to introduce sulfonate groups into molecules by opening its sultone ring with nucleophiles such as amines, alcohols, and thiols. Common applications include: (1) functionalizing polymers and resins to produce sulfonated polymers and ion-exchange materials, such as proton-conducting membranes for electronics and energy storage; (2) synthesis of sulfonated surfactants and specialty additives for coatings, inks, and cleaners; (3) preparation of sulfonated intermediates for pharmaceutical and specialty chemicals; (4) use as a crosslinking or curing agent in polymer formulations via ring opening with nucleophiles to enable functional coatings, adhesives, and related materials. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 76.9
    methanol 199.85
    isopropanol 42.46
    water 84.07
    ethyl acetate 39.29
    n-propanol 36.84
    acetone 153.35
    n-butanol 29.96
    acetonitrile 143.73
    DMF 355.13
    toluene 10.78
    isobutanol 26.05
    1,4-dioxane 91.04
    methyl acetate 83.7
    THF 65.86
    2-butanone 78.34
    n-pentanol 31.22
    sec-butanol 34.1
    n-hexane 1.45
    ethylene glycol 71.65
    NMP 269.23
    cyclohexane 3.15
    DMSO 321.5
    n-butyl acetate 28.68
    n-octanol 33.85
    chloroform 53.9
    n-propyl acetate 40.25
    acetic acid 169.11
    dichloromethane 71.64
    cyclohexanone 92.72
    propylene glycol 49.09
    isopropyl acetate 28.68
    DMAc 291.99
    2-ethoxyethanol 118.84
    isopentanol 30.81
    n-heptane 2.19
    ethyl formate 71.57
    1,2-dichloroethane 50.93
    n-hexanol 22.58
    2-methoxyethanol 180.89
    isobutyl acetate 21.32
    tetrachloromethane 6.95
    n-pentyl acetate 32.19
    transcutol 291.82
    n-heptanol 20.12
    ethylbenzene 10.59
    MIBK 35.02
    2-propoxyethanol 68.69
    tert-butanol 47.63
    MTBE 28.73
    2-butoxyethanol 54.31
    propionic acid 68.13
    o-xylene 15.41
    formic acid 237.83
    diethyl ether 25.86
    m-xylene 11.02
    p-xylene 16.03
    chlorobenzene 27.41
    dimethyl carbonate 44.89
    n-octane 1.69
    formamide 379.22
    cyclopentanone 110.6
    2-pentanone 47.92
    anisole 46.32
    cyclopentyl methyl ether 26.12
    gamma-butyrolactone 135.11
    1-methoxy-2-propanol 99.97
    pyridine 74.1
    3-pentanone 39.1
    furfural 232.09
    n-dodecane 2.22
    diethylene glycol 99.93
    diisopropyl ether 9.63
    tert-amyl alcohol 45.31
    acetylacetone 101.14
    n-hexadecane 2.47
    acetophenone 79.48
    methyl propionate 46.48
    isopentyl acetate 27.48
    trichloroethylene 100.42
    n-nonanol 29.29
    cyclohexanol 28.51
    benzyl alcohol 55.47
    2-ethylhexanol 15.88
    isooctanol 16.66
    dipropyl ether 13.11
    1,2-dichlorobenzene 38.23
    ethyl lactate 43.18
    propylene carbonate 78.53
    n-methylformamide 203.95
    2-pentanol 22.67
    n-pentane 1.92
    1-propoxy-2-propanol 45.65
    1-methoxy-2-propyl acetate 42.92
    2-(2-methoxypropoxy) propanol 91.24
    mesitylene 9.57
    ε-caprolactone 81.66
    p-cymene 11.1
    epichlorohydrin 104.56
    1,1,1-trichloroethane 23.16
    2-aminoethanol 74.47
    morpholine-4-carbaldehyde 293.36
    sulfolane 181.66
    2,2,4-trimethylpentane 1.77
    2-methyltetrahydrofuran 43.24
    n-hexyl acetate 51.83
    isooctane 1.22
    2-(2-butoxyethoxy)ethanol 105.47
    sec-butyl acetate 23.76
    tert-butyl acetate 34.32
    decalin 2.46
    glycerin 96.98
    diglyme 185.49
    acrylic acid 99.9
    isopropyl myristate 22.34
    n-butyric acid 53.03
    acetyl acetate 45.6
    di(2-ethylhexyl) phthalate 31.82
    ethyl propionate 30.87
    nitromethane 383.8
    1,2-diethoxyethane 54.17
    benzonitrile 72.04
    trioctyl phosphate 21.45
    1-bromopropane 14.16
    gamma-valerolactone 194.32
    n-decanol 22.33
    triethyl phosphate 20.83
    4-methyl-2-pentanol 16.34
    propionitrile 49.93
    vinylene carbonate 94.16
    1,1,2-trichlorotrifluoroethane 131.9
    DMS 51.36
    cumene 9.96
    2-octanol 18.45
    2-hexanone 44.28
    octyl acetate 31.01
    limonene 14.84
    1,2-dimethoxyethane 165.25
    ethyl orthosilicate 17.64
    tributyl phosphate 26.52
    diacetone alcohol 66.18
    N,N-dimethylaniline 41.19
    acrylonitrile 103.98
    aniline 31.4
    1,3-propanediol 74.31
    bromobenzene 20.39
    dibromomethane 34.61
    1,1,2,2-tetrachloroethane 74.15
    2-methyl-cyclohexyl acetate 31.57
    tetrabutyl urea 45.12
    diisobutyl methanol 11.48
    2-phenylethanol 40.84
    styrene 14.06
    dioctyl adipate 39.03
    dimethyl sulfate 94.15
    ethyl butyrate 27.86
    methyl lactate 63.47
    butyl lactate 42.34
    diethyl carbonate 23.64
    propanediol butyl ether 89.0
    triethyl orthoformate 21.81
    p-tert-butyltoluene 9.98
    methyl 4-tert-butylbenzoate 62.37
    morpholine 89.13
    tert-butylamine 24.44
    n-dodecanol 17.18
    dimethoxymethane 109.53
    ethylene carbonate 62.41
    cyrene 94.19
    2-ethoxyethyl acetate 53.7
    2-ethylhexyl acetate 21.68
    1,2,4-trichlorobenzene 45.32
    4-methylpyridine 72.43
    dibutyl ether 22.63
    2,6-dimethyl-4-heptanol 11.48
    DEF 93.97
    dimethyl isosorbide 102.76
    tetrachloroethylene 50.27
    eugenol 75.08
    triacetin 81.86
    span 80 65.78
    1,4-butanediol 48.83
    1,1-dichloroethane 28.37
    2-methyl-1-pentanol 29.57
    methyl formate 171.8
    2-methyl-1-butanol 27.44
    n-decane 3.21
    butyronitrile 41.32
    3,7-dimethyl-1-octanol 29.91
    1-chlorooctane 12.35
    1-chlorotetradecane 6.2
    n-nonane 2.83
    undecane 2.58
    tert-butylcyclohexane 1.91
    cyclooctane 1.56
    cyclopentanol 31.46
    tetrahydropyran 32.8
    tert-amyl methyl ether 26.67
    2,5,8-trioxanonane 147.25
    1-hexene 5.77
    2-isopropoxyethanol 71.46
    2,2,2-trifluoroethanol 110.09
    methyl butyrate 50.25

    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