Thioglycerol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    96-27-5

    Molecular formula
    C3H8O2S

    SMILES
    C(C(CS)O)O

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 59.74%
    Meaty 51.3%
    Odorless 44.28%
    Savory 34.98%
    Fishy 28.94%
    Onion 22.49%
    Roasted 21.96%
    Cooked 21.03%
    Cheesy 20.93%
    Burnt 19.91%

     

    Flavor
    Odorless 69.01%
    Sweet 45.16%
    Sweet-like 29.17%
    Sulfurous 25.39%
    Very slight 23.63%
    Alcoholic 20.92%
    Cauliflower 20.83%
    Soup 20.64%
    Mild 19.96%
    Soy 19.49%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    -0.8

    pKa est.
    7.84 (neutral)

    Molecular weight
    108.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point

    • 118 °C @ 5 MM HG

    Flash point

    • 120.05 ˚C est.

    Solubility expt.

    • SLIGHTLY SOL IN WATER; MISCIBLE WITH ALCOHOL; INSOL IN ETHER
    • VERY SOL IN ACETONE; SLIGHTLY SOL IN BENZENE

  • Synonyms

    • 3-Mercapto-1,2-propanediol
    • 96-27-5
    • 1-Thioglycerol
    • Monothioglycerol
    • THIOGLYCEROL
    • Thioglycerin
    • Thiovanol
    • alpha-Thioglycerol
    • Thioglycerine
    • Glycerol-1-thiol
    • 1-Mercaptoglycerol
    • 1-Monothioglycerol
    • Monothioglycerin
    • 2,3-Dihydroxypropanethiol
    • 1-Mercapto-2,3-propanediol
    • alpha-Thiolglycerol
    • 1,2-Propanediol, 3-mercapto-
    • Glycerol, 1-thio-
    • alpha-Monothioglycerol
    • 1-Thio-2,3-propanediol
    • USAF CB-37
    • USAF B-40
    • AAO1P0WSXJ
    • DTXSID5046512
    • NSC-5370
    • DTXCID3026512
    • CHEBI:74537
    • mercaptoglycerol
    • RefChem:159628
    • GlyTouCan:G07756TT
    • G07756TT
    • 202-495-0
    • 3-Mercaptopropane-1,2-diol
    • 3-Sulfanylpropane-1,2-diol
    • 3-Mercapto-1,2-propanediole
    • .alpha.-Thioglycerol
    • NSC 5370
    • MFCD00004879
    • .alpha.-Thiolglycerol
    • Monothioglycerol [NF]
    • .alpha.-Monothioglycerol
    • Monothioglycerol (NF)
    • NCGC00165973-01
    • CAS-96-27-5
    • DL-1-Thioglycerol
    • 3-Mercapto-propane-1,2-diol
    • 1-Thio-DL-glycerol
    • HSDB 2184
    • UNII-AAO1P0WSXJ
    • EINECS 202-495-0
    • BRN 1732046
    • AI3-25462
    • 1, 3-mercapto-
    • starbld0004819
    • THIOGLYCEROL [MI]
    • WLN: SH1YQ1Q
    • SCHEMBL4462
    • 1-Thioglycerol, >=97%
    • THIOGLYCEROL [VANDF]
    • MONOTHIOGLYCEROL [II]
    • 3-01-00-02339 (Beilstein Handbook Reference)
    • SCHEMBL936115
    • 2,3-dihydroxy-1-propanethiol
    • MONOTHIOGLYCEROL [HSDB]
    • orb2283395
    • SCHEMBL9930551
    • MONOTHIOGLYCEROL [VANDF]
    • 3-Sulfanyl-1,2-propanediol #
    • CHEMBL1398948
    • MONOTHIOGLYCEROL [MART.]
    • SCHEMBL11640120
    • NSC5370
    • 1-Thioglycerol, BioXtra, >=97%
    • 3-Thiopropane-1,2-diol, NF grade
    • Tox21_112276
    • Tox21_202881
    • 1-Thioglycerol, >=99.0% (GC)
    • AKOS015856773
    • Tox21_112276_1
    • CS-W011288
    • FM41694
    • HY-W010572
    • MSK180323-1000M
    • NCGC00165973-02
    • NCGC00260427-01
    • LS-12963
    • SY001792
    • 1-Thioglycerol, dist., >=98.0% (GC)
    • NS00014155
    • T0210
    • T0905
    • (+/-)-3-MERCAPTO-1,2-PROPANEDIOL
    • D05075
    • D92320
    • EN300-100297
    • 1-Thioglycerol Solution in Methanol, 1000ug/mL
    • F358021
    • Q2745755
    • Z1255382958
    • 1-Thioglycerol, liquid, BioReagent, suitable for cell culture, >=97% (titration)
    • 96-27-5

  • Applications

    Thioglycerol (CAS 96-27-5) is a di-thiol derivative of glycerol used as a versatile building block in organosulfur chemistry. In industry it serves as a functionalizing agent and intermediate for thiol-ene and thiol-epoxy networks, enabling crosslinking in coatings, adhesives, and specialty polymers; it can act as a reducing agent and scavenger for residual oxidants or metal ions during processing; it is employed as a precursor for thioether and polysulfide intermediates; and it may be used as a sulfur-containing intermediate or modifier in fragrance-related formulations or other sulfur-containing materials, subject to formulation limits and regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 144.22
    methanol 492.09
    isopropanol 55.51
    water 560.08
    ethyl acetate 8.21
    n-propanol 65.94
    acetone 123.72
    n-butanol 41.39
    acetonitrile 12.88
    DMF 424.66
    toluene 0.82
    isobutanol 26.03
    1,4-dioxane 39.16
    methyl acetate 12.55
    THF 84.15
    2-butanone 20.84
    n-pentanol 22.41
    sec-butanol 21.77
    n-hexane 0.54
    ethylene glycol 336.38
    NMP 190.09
    cyclohexane 1.53
    DMSO 676.24
    n-butyl acetate 9.43
    n-octanol 12.51
    chloroform 2.72
    n-propyl acetate 8.65
    acetic acid 378.02
    dichloromethane 3.18
    cyclohexanone 36.83
    propylene glycol 130.21
    isopropyl acetate 7.09
    DMAc 139.84
    2-ethoxyethanol 121.15
    isopentanol 22.69
    n-heptane 1.81
    ethyl formate 24.41
    1,2-dichloroethane 3.8
    n-hexanol 18.3
    2-methoxyethanol 282.48
    isobutyl acetate 5.18
    tetrachloromethane 1.95
    n-pentyl acetate 9.42
    transcutol 177.18
    n-heptanol 15.37
    ethylbenzene 0.69
    MIBK 11.97
    2-propoxyethanol 70.0
    tert-butanol 54.32
    MTBE 7.9
    2-butoxyethanol 50.75
    propionic acid 66.81
    o-xylene 1.48
    formic acid 734.79
    diethyl ether 7.08
    m-xylene 1.5
    p-xylene 1.1
    chlorobenzene 1.3
    dimethyl carbonate 8.54
    n-octane 0.77
    formamide 572.32
    cyclopentanone 67.18
    2-pentanone 20.28
    anisole 4.76
    cyclopentyl methyl ether 15.76
    gamma-butyrolactone 64.72
    1-methoxy-2-propanol 110.34
    pyridine 11.33
    3-pentanone 9.19
    furfural 73.61
    n-dodecane 0.63
    diethylene glycol 154.01
    diisopropyl ether 2.6
    tert-amyl alcohol 24.23
    acetylacetone 39.91
    n-hexadecane 0.65
    acetophenone 9.11
    methyl propionate 10.52
    isopentyl acetate 8.09
    trichloroethylene 6.18
    n-nonanol 11.24
    cyclohexanol 21.96
    benzyl alcohol 12.06
    2-ethylhexanol 9.31
    isooctanol 11.64
    dipropyl ether 7.92
    1,2-dichlorobenzene 1.69
    ethyl lactate 15.47
    propylene carbonate 20.9
    n-methylformamide 213.86
    2-pentanol 13.89
    n-pentane 0.93
    1-propoxy-2-propanol 43.53
    1-methoxy-2-propyl acetate 17.23
    2-(2-methoxypropoxy) propanol 47.66
    mesitylene 1.76
    ε-caprolactone 27.88
    p-cymene 2.08
    epichlorohydrin 27.74
    1,1,1-trichloroethane 1.92
    2-aminoethanol 263.59
    morpholine-4-carbaldehyde 155.75
    sulfolane 136.09
    2,2,4-trimethylpentane 0.54
    2-methyltetrahydrofuran 23.04
    n-hexyl acetate 12.28
    isooctane 0.6
    2-(2-butoxyethoxy)ethanol 71.28
    sec-butyl acetate 4.39
    tert-butyl acetate 12.19
    decalin 0.52
    glycerin 284.04
    diglyme 110.97
    acrylic acid 96.49
    isopropyl myristate 5.98
    n-butyric acid 58.85
    acetyl acetate 10.01
    di(2-ethylhexyl) phthalate 10.49
    ethyl propionate 5.12
    nitromethane 220.78
    1,2-diethoxyethane 18.43
    benzonitrile 4.72
    trioctyl phosphate 9.15
    1-bromopropane 1.35
    gamma-valerolactone 104.23
    n-decanol 8.57
    triethyl phosphate 6.43
    4-methyl-2-pentanol 8.8
    propionitrile 6.28
    vinylene carbonate 18.62
    1,1,2-trichlorotrifluoroethane 77.44
    DMS 7.9
    cumene 1.04
    2-octanol 7.42
    2-hexanone 11.71
    octyl acetate 8.94
    limonene 3.7
    1,2-dimethoxyethane 78.79
    ethyl orthosilicate 6.29
    tributyl phosphate 9.36
    diacetone alcohol 42.59
    N,N-dimethylaniline 6.13
    acrylonitrile 12.87
    aniline 6.29
    1,3-propanediol 231.46
    bromobenzene 0.69
    dibromomethane 2.01
    1,1,2,2-tetrachloroethane 5.66
    2-methyl-cyclohexyl acetate 9.89
    tetrabutyl urea 16.75
    diisobutyl methanol 7.45
    2-phenylethanol 11.49
    styrene 0.81
    dioctyl adipate 13.33
    dimethyl sulfate 24.33
    ethyl butyrate 8.41
    methyl lactate 30.19
    butyl lactate 19.46
    diethyl carbonate 4.8
    propanediol butyl ether 60.9
    triethyl orthoformate 8.13
    p-tert-butyltoluene 2.5
    methyl 4-tert-butylbenzoate 21.75
    morpholine 59.51
    tert-butylamine 15.94
    n-dodecanol 6.77
    dimethoxymethane 72.93
    ethylene carbonate 14.27
    cyrene 53.87
    2-ethoxyethyl acetate 15.19
    2-ethylhexyl acetate 5.61
    1,2,4-trichlorobenzene 2.57
    4-methylpyridine 6.92
    dibutyl ether 5.78
    2,6-dimethyl-4-heptanol 7.45
    DEF 36.21
    dimethyl isosorbide 63.58
    tetrachloroethylene 8.54
    eugenol 31.18
    triacetin 20.88
    span 80 46.76
    1,4-butanediol 94.32
    1,1-dichloroethane 1.6
    2-methyl-1-pentanol 12.89
    methyl formate 114.61
    2-methyl-1-butanol 18.94
    n-decane 0.88
    butyronitrile 6.59
    3,7-dimethyl-1-octanol 10.66
    1-chlorooctane 2.28
    1-chlorotetradecane 1.27
    n-nonane 0.84
    undecane 0.72
    tert-butylcyclohexane 0.56
    cyclooctane 0.71
    cyclopentanol 42.01
    tetrahydropyran 16.82
    tert-amyl methyl ether 6.46
    2,5,8-trioxanonane 98.81
    1-hexene 1.19
    2-isopropoxyethanol 52.4
    2,2,2-trifluoroethanol 142.58
    methyl butyrate 10.79

    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