gamma-Thiobutyrolactone

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  • Identifiers

    CAS number
    1003-10-7

    Molecular formula
    C4H6OS

    SMILES
    C1CC(=O)SC1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Sulfurous 76.94%
    Meaty 51.95%
    Garlic 50.08%
    Roasted 46.46%
    Burnt 46.26%
    Alliaceous 45.55%
    Onion 43.3%
    Savory 37.1%
    Vegetable 33.61%
    Cooked 33.33%

    Scent© AI

  • Properties

    XLogP3-AA
    0.7

    Molecular weight
    102.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point

    • 195.00 to 197.00 °C. @ 760.00 mm Hg

    Flash point est.
    68.56 ˚C

    Solubility expt.

    • Practically insoluble or insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 4-Butyrothiolactone
    • Thiolan-2-one
    • 1003-10-7
    • Dihydro-2(3H)-thiophenone
    • gamma-Thiobutyrolactone
    • 2(3H)-Thiophenone, dihydro-
    • 4-Thiobutyrolactone
    • 2-Oxothiolane
    • Thiacyclopentan-2-one
    • Tetrahydro-2-thiophenone
    • 2-THIOPHENONE, TETRAHYDRO-
    • .gamma.-Thiobutyrolactone
    • dihydrothiophen-2(3H)-one
    • Thiacyclopentanone-2
    • NSC 54087
    • EINECS 213-700-8
    • A3ERZ734SN
    • BRN 0105273
    • 2-oxotetrahydrothiophene
    • NSC-54087
    • Dihydro-2-(3H)-thiophenone
    • DTXSID3061390
    • FEMA NO. 4570
    • CHEBI:89059
    • 5-17-09-00012 (Beilstein Handbook Reference)
    • BUTANOIC ACID, 4-MERCAPTO-, .GAMMA.-(THIOLACTONE)
    • BUTYRIC ACID, 4-MERCAPTO-, .GAMMA.-(THIOLACTONE)
    • UNII-A3ERZ734SN
    • thiolanone
    • 2-Thiolanone
    • MFCD00005479
    • gamma -Thiobutyrolactone
    • SCHEMBL13480
    • CHEMBL56395
    • gamma-Thiobutyrolactone, 98%
    • SCHEMBL3630088
    • DTXCID6032510
    • KMSNYNIWEORQDJ-UHFFFAOYSA-
    • laquo gammaRaquo -thiobutyrolactone
    • NSC54087
    • 4-Mercaptobutanoic acid g-thiolactone
    • AKOS028108379
    • AS-59251
    • CS-0120136
    • NS00021423
    • EN300-129277
    • W15445
    • InChI=1/C4H6OS/c5-4-2-1-3-6-4/h1-3H2
    • Q27161237
    • BUTANOIC ACID, 4-MERCAPTO-, GAMMA-(THIOLACTONE)
    • BUTYRIC ACID, 4-MERCAPTO-, GAMMA-(THIOLACTONE)
    • 213-700-8

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 354.87
    methanol 607.03
    isopropanol 190.64
    water 63.5
    ethyl acetate 116.2
    n-propanol 212.32
    acetone 258.84
    n-butanol 192.35
    acetonitrile 194.48
    DMF 452.3
    toluene 53.15
    isobutanol 156.21
    1,4-dioxane 200.86
    methyl acetate 172.78
    THF 245.46
    2-butanone 190.18
    n-pentanol 179.49
    sec-butanol 165.71
    n-hexane 10.32
    ethylene glycol 237.01
    NMP 445.73
    cyclohexane 9.66
    DMSO 408.57
    n-butyl acetate 186.74
    n-octanol 172.94
    chloroform 427.93
    n-propyl acetate 162.56
    acetic acid 713.72
    dichloromethane 337.78
    cyclohexanone 267.67
    propylene glycol 196.83
    isopropyl acetate 93.04
    DMAc 340.29
    2-ethoxyethanol 366.99
    isopentanol 187.41
    n-heptane 12.68
    ethyl formate 171.08
    1,2-dichloroethane 168.2
    n-hexanol 172.88
    2-methoxyethanol 439.04
    isobutyl acetate 119.27
    tetrachloromethane 64.82
    n-pentyl acetate 183.99
    transcutol 1407.46
    n-heptanol 146.16
    ethylbenzene 56.22
    MIBK 124.42
    2-propoxyethanol 349.21
    tert-butanol 189.1
    MTBE 107.96
    2-butoxyethanol 315.18
    propionic acid 282.11
    o-xylene 60.12
    formic acid 564.61
    diethyl ether 76.4
    m-xylene 56.41
    p-xylene 87.36
    chlorobenzene 140.36
    dimethyl carbonate 78.4
    n-octane 8.75
    formamide 514.76
    cyclopentanone 331.37
    2-pentanone 141.2
    anisole 174.36
    cyclopentyl methyl ether 112.68
    gamma-butyrolactone 389.71
    1-methoxy-2-propanol 289.98
    pyridine 246.48
    3-pentanone 89.63
    furfural 615.94
    n-dodecane 11.1
    diethylene glycol 353.02
    diisopropyl ether 36.82
    tert-amyl alcohol 181.98
    acetylacetone 194.59
    n-hexadecane 11.89
    acetophenone 250.61
    methyl propionate 108.05
    isopentyl acetate 182.71
    trichloroethylene 461.59
    n-nonanol 140.53
    cyclohexanol 131.17
    benzyl alcohol 220.26
    2-ethylhexanol 123.88
    isooctanol 124.87
    dipropyl ether 73.65
    1,2-dichlorobenzene 178.42
    ethyl lactate 130.23
    propylene carbonate 265.46
    n-methylformamide 334.16
    2-pentanol 125.95
    n-pentane 10.12
    1-propoxy-2-propanol 255.73
    1-methoxy-2-propyl acetate 183.06
    2-(2-methoxypropoxy) propanol 315.74
    mesitylene 42.47
    ε-caprolactone 272.92
    p-cymene 62.28
    epichlorohydrin 331.64
    1,1,1-trichloroethane 147.23
    2-aminoethanol 294.15
    morpholine-4-carbaldehyde 519.49
    sulfolane 479.94
    2,2,4-trimethylpentane 11.94
    2-methyltetrahydrofuran 181.34
    n-hexyl acetate 253.7
    isooctane 10.96
    2-(2-butoxyethoxy)ethanol 432.64
    sec-butyl acetate 105.44
    tert-butyl acetate 122.48
    decalin 13.8
    glycerin 320.9
    diglyme 675.64
    acrylic acid 375.78
    isopropyl myristate 95.03
    n-butyric acid 289.47
    acetyl acetate 111.73
    di(2-ethylhexyl) phthalate 127.22
    ethyl propionate 101.87
    nitromethane 673.46
    1,2-diethoxyethane 249.75
    benzonitrile 270.88
    trioctyl phosphate 85.66
    1-bromopropane 71.86
    gamma-valerolactone 489.44
    n-decanol 101.83
    triethyl phosphate 79.67
    4-methyl-2-pentanol 102.04
    propionitrile 127.56
    vinylene carbonate 314.98
    1,1,2-trichlorotrifluoroethane 463.75
    DMS 180.41
    cumene 59.78
    2-octanol 114.62
    2-hexanone 178.36
    octyl acetate 124.84
    limonene 76.99
    1,2-dimethoxyethane 363.15
    ethyl orthosilicate 77.15
    tributyl phosphate 107.72
    diacetone alcohol 203.43
    N,N-dimethylaniline 150.75
    acrylonitrile 222.99
    aniline 137.22
    1,3-propanediol 294.18
    bromobenzene 114.24
    dibromomethane 188.24
    1,1,2,2-tetrachloroethane 333.82
    2-methyl-cyclohexyl acetate 148.49
    tetrabutyl urea 139.76
    diisobutyl methanol 79.57
    2-phenylethanol 199.09
    styrene 75.19
    dioctyl adipate 152.21
    dimethyl sulfate 142.68
    ethyl butyrate 132.77
    methyl lactate 132.89
    butyl lactate 210.03
    diethyl carbonate 96.87
    propanediol butyl ether 431.45
    triethyl orthoformate 108.55
    p-tert-butyltoluene 55.51
    methyl 4-tert-butylbenzoate 243.08
    morpholine 246.93
    tert-butylamine 115.77
    n-dodecanol 77.23
    dimethoxymethane 171.58
    ethylene carbonate 204.48
    cyrene 273.14
    2-ethoxyethyl acetate 251.53
    2-ethylhexyl acetate 139.39
    1,2,4-trichlorobenzene 230.93
    4-methylpyridine 260.48
    dibutyl ether 122.89
    2,6-dimethyl-4-heptanol 79.57
    DEF 188.46
    dimethyl isosorbide 344.17
    tetrachloroethylene 255.29
    eugenol 313.32
    triacetin 308.97
    span 80 287.52
    1,4-butanediol 196.1
    1,1-dichloroethane 148.93
    2-methyl-1-pentanol 175.68
    methyl formate 258.71
    2-methyl-1-butanol 162.12
    n-decane 16.69
    butyronitrile 142.66
    3,7-dimethyl-1-octanol 156.77
    1-chlorooctane 71.98
    1-chlorotetradecane 31.06
    n-nonane 15.17
    undecane 13.16
    tert-butylcyclohexane 16.95
    cyclooctane 5.07
    cyclopentanol 154.93
    tetrahydropyran 125.99
    tert-amyl methyl ether 96.4
    2,5,8-trioxanonane 458.78
    1-hexene 45.92
    2-isopropoxyethanol 265.16
    2,2,2-trifluoroethanol 290.74
    methyl butyrate 161.21

    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