Thiodiglycol

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  • Identifiers

    CAS number
    111-48-8

    Molecular formula
    C4H10O2S

    SMILES
    C(CSCCO)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Sulfurous 67.38%
    Meaty 59.38%
    Savory 43.04%
    Onion 35.63%
    Garlic 31.4%
    Alliaceous 29.38%
    Cooked 27.77%
    Fishy 27.43%
    Roasted 27.1%
    Vegetable 25.58%

    Scent© AI

  • Properties

    XLogP3-AA
    -0.6

    Molecular weight
    122.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • -10.2 °C
    • -18 - -10 °C

    Boiling point

    • 282 °C
    • 282.00 °C. @ 760.00 mm Hg

    Flash point est.
    133.82 ˚C

    Flash point expt.

    • 113 °C (235 °F) - closed cup
    • 320 °F (160 °C) (Closed cup)
    • 160 °C o.c.

    Solubility expt.

    • In water, miscible at 20 °C
    • Miscible with water
    • Miscible with ethanol, chloroform, ethyl acetate; soluble in ether; slightly soluble in benzene
    • 1000 mg/mL at 20 °C
    • Solubility in water, g/100ml at 20 °C: 100

  • Synonyms

    • thiodiglycol
    • 2,2'-Thiodiethanol
    • 111-48-8
    • Thiodiethanol
    • Thiodiethylene glycol
    • Tedegyl
    • Kromfax solvent
    • Bis(2-hydroxyethyl) sulfide
    • Ethanol, 2,2'-thiobis-
    • Bis(2-hydroxyethyl)sulfide
    • 2,2-Thiodiethanol
    • Glyecine A
    • 2,2'-Thiodiglycol
    • 2,2'-THIOBISETHANOL
    • Tiodiglicol
    • Di(2-hydroxyethyl) sulfide
    • 2-(2-hydroxyethylsulfanyl)ethanol
    • Bis(2-hydroxyethyl) thioether
    • Thiodiglycolum
    • Tiodiglicolo
    • beta-Hydroxyethyl sulfide
    • Sulfide, bis(2-hydroxyethyl)
    • Thiodiglycol [INN]
    • Dihydroxyethyl sulfide
    • Ethanol, 2,2'-thiodi-
    • Diethanol sulfide
    • bis(hydroxyethyl)sulfide
    • Bis(beta-hydroxyethyl) sulfide
    • beta,beta'-Dihydroxyethyl sulfide
    • Tiodiglicolo [DCIT]
    • beta,beta'-Dihydroxydiethyl sulfide
    • Bis(beta-hydroxyethyl)sulfide
    • beta-Thiodiglycol
    • 2,2'-Thiobis(ethanol)
    • 3-Thiapentane-1,5-diol
    • .beta.-Thiodiglycol
    • Tiodiglicol [INN-Spanish]
    • 2-[(2-hydroxyethyl)sulfanyl]ethan-1-ol
    • Thiodiglycolum [INN-Latin]
    • NSC 6289
    • Bis(2-hydroxyethyl) sulphide
    • HSDB 7482
    • 2,2'-Thiobis[ethanol]
    • 2,2'-sulfanediyldiethanol
    • Kromfax@ Solvent
    • NSC-6289
    • .beta.-Hydroxyethyl sulfide
    • Bis(b-hydroxyethyl) sulfide
    • EINECS 203-874-3
    • UNII-9BW5T43J04
    • beta-Bis(hydroxyethyl) sulfide
    • BRN 1236325
    • DTXSID6026878
    • CHEBI:75184
    • AI3-05541
    • .beta.-Bis(hydroxyethyl) sulfide
    • Bis(.beta.-hydroxyethyl) sulfide
    • beta-hydroxyethyl sulfid
    • MFCD00002910
    • .beta.,.beta.'-Dihydroxyethyl sulfide
    • THIODIGLYCOL [HSDB]
    • .beta.,.beta.'-Dihydroxydiethyl sulfide
    • DTXCID506878
    • NSC6289
    • EC 203-874-3
    • 9BW5T43J04
    • 2,2'-THIODIETHANOL [MI]
    • NCGC00095074-01
    • Tiodiglicol (INN-Spanish)
    • Thiodiglycolum (INN-Latin)
    • 2,2'-sulfobisethanol
    • 2-((2-hydroxyethyl)sulfanyl)ethan-1-ol
    • CAS-111-48-8
    • Diethanolsulfide
    • 2-[(2-hydroxyethyl)thio]ethanol
    • 2,2'Thiodiglycol
    • 2,2'thiodiethanol
    • 2,2'Thiobisethanol
    • 2,2`-Thiodiethanol
    • Ethanol,2'-thiodi-
    • Ethanol,2'-thiobis-
    • Tiodiglicol (Spanish)
    • 2-Hydroxyethyl Sulfide
    • betaHydroxyethyl sulfide
    • Ethanol, 2,2'thiodi
    • Spectrum_001701
    • Thiodiglycolum (Latin)
    • 2,2'-Thiodi-Ethanol
    • Ethanol, 2,2'thiobis
    • 2,2'-Thiobis-Ethanol
    • Bis(2hydroxyethyl)sulfide
    • Spectrum2_000407
    • Spectrum4_000213
    • Di(2hydroxyethyl) sulfide
    • Bis(2hydroxyethyl) sulfide
    • Bis(betahydroxyethyl)sulfide
    • THIODIGLYCOL [INCI]
    • Sulfide, bis(2hydroxyethyl)
    • WLN: Q2S2Q
    • Bis(2hydroxyethyl) thioether
    • SCHEMBL40132
    • Bis(betahydroxyethyl) sulfide
    • KBioGR_000845
    • KBioSS_002181
    • 1,5-dihydroxy-3-thiapentane
    • 2,2'-thiobis(ethan-1-ol)
    • SPECTRUM1503325
    • 2-(2-hydroxyethylthio)ethanol
    • bis-(2-hydroxyethyl) sulphide
    • SPBio_000334
    • CHEMBL444480
    • SCHEMBL6679983
    • beta,beta'Dihydroxyethyl sulfide
    • KBio2_002181
    • KBio2_004749
    • KBio2_007317
    • 2,2'-Thiodiethanol, >=99%
    • beta,beta'Dihydroxydiethyl sulfide
    • HMS1922I18
    • Pharmakon1600-01503325
    • HY-B0913
    • MSK159274_C
    • Tox21_111413
    • Tox21_200827
    • CCG-39716
    • NSC758456
    • STL302034
    • AKOS009031578

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 133.05
    methanol 241.12
    isopropanol 70.03
    water 31.92
    ethyl acetate 16.1
    n-propanol 96.94
    acetone 37.92
    n-butanol 65.81
    acetonitrile 23.45
    DMF 213.92
    toluene 3.61
    isobutanol 44.1
    1,4-dioxane 95.89
    methyl acetate 20.11
    THF 159.1
    2-butanone 24.2
    n-pentanol 30.16
    sec-butanol 42.05
    n-hexane 1.59
    ethylene glycol 156.66
    NMP 236.2
    cyclohexane 6.8
    DMSO 373.46
    n-butyl acetate 21.42
    n-octanol 24.08
    chloroform 29.71
    n-propyl acetate 15.84
    acetic acid 162.22
    dichloromethane 31.47
    cyclohexanone 95.2
    propylene glycol 110.73
    isopropyl acetate 10.03
    DMAc 93.12
    2-ethoxyethanol 77.17
    isopentanol 28.68
    n-heptane 6.39
    ethyl formate 30.43
    1,2-dichloroethane 22.33
    n-hexanol 43.97
    2-methoxyethanol 186.75
    isobutyl acetate 10.38
    tetrachloromethane 7.89
    n-pentyl acetate 18.47
    transcutol 144.98
    n-heptanol 27.64
    ethylbenzene 2.89
    MIBK 10.3
    2-propoxyethanol 93.76
    tert-butanol 55.16
    MTBE 11.0
    2-butoxyethanol 57.14
    propionic acid 99.85
    o-xylene 5.81
    formic acid 150.82
    diethyl ether 13.3
    m-xylene 4.48
    p-xylene 4.11
    chlorobenzene 9.69
    dimethyl carbonate 12.32
    n-octane 2.34
    formamide 149.33
    cyclopentanone 130.16
    2-pentanone 19.26
    anisole 11.61
    cyclopentyl methyl ether 41.47
    gamma-butyrolactone 156.27
    1-methoxy-2-propanol 106.02
    pyridine 43.46
    3-pentanone 15.11
    furfural 136.69
    n-dodecane 1.79
    diethylene glycol 130.51
    diisopropyl ether 4.03
    tert-amyl alcohol 31.66
    acetylacetone 26.39
    n-hexadecane 1.96
    acetophenone 19.26
    methyl propionate 22.19
    isopentyl acetate 16.67
    trichloroethylene 36.2
    n-nonanol 21.78
    cyclohexanol 65.36
    benzyl alcohol 24.37
    2-ethylhexanol 21.49
    isooctanol 19.42
    dipropyl ether 22.08
    1,2-dichlorobenzene 13.17
    ethyl lactate 25.92
    propylene carbonate 64.0
    n-methylformamide 129.18
    2-pentanol 25.23
    n-pentane 2.48
    1-propoxy-2-propanol 65.84
    1-methoxy-2-propyl acetate 28.03
    2-(2-methoxypropoxy) propanol 49.25
    mesitylene 4.54
    ε-caprolactone 77.87
    p-cymene 7.8
    epichlorohydrin 73.95
    1,1,1-trichloroethane 11.74
    2-aminoethanol 172.9
    morpholine-4-carbaldehyde 198.15
    sulfolane 274.89
    2,2,4-trimethylpentane 1.4
    2-methyltetrahydrofuran 63.63
    n-hexyl acetate 24.08
    isooctane 1.17
    2-(2-butoxyethoxy)ethanol 69.76
    sec-butyl acetate 8.28
    tert-butyl acetate 13.17
    decalin 2.5
    glycerin 192.78
    diglyme 108.3
    acrylic acid 108.95
    isopropyl myristate 11.69
    n-butyric acid 83.02
    acetyl acetate 13.55
    di(2-ethylhexyl) phthalate 19.56
    ethyl propionate 12.96
    nitromethane 116.39
    1,2-diethoxyethane 25.75
    benzonitrile 21.13
    trioctyl phosphate 17.52
    1-bromopropane 9.88
    gamma-valerolactone 174.49
    n-decanol 16.27
    triethyl phosphate 16.77
    4-methyl-2-pentanol 10.86
    propionitrile 23.21
    vinylene carbonate 60.4
    1,1,2-trichlorotrifluoroethane 119.44
    DMS 19.3
    cumene 3.78
    2-octanol 15.18
    2-hexanone 14.83
    octyl acetate 16.76
    limonene 13.69
    1,2-dimethoxyethane 70.22
    ethyl orthosilicate 15.11
    tributyl phosphate 17.3
    diacetone alcohol 35.71
    N,N-dimethylaniline 13.62
    acrylonitrile 38.94
    aniline 21.11
    1,3-propanediol 155.62
    bromobenzene 6.23
    dibromomethane 19.0
    1,1,2,2-tetrachloroethane 39.3
    2-methyl-cyclohexyl acetate 23.35
    tetrabutyl urea 28.5
    diisobutyl methanol 14.09
    2-phenylethanol 27.74
    styrene 3.47
    dioctyl adipate 23.78
    dimethyl sulfate 35.51
    ethyl butyrate 19.33
    methyl lactate 43.86
    butyl lactate 31.97
    diethyl carbonate 13.85
    propanediol butyl ether 63.62
    triethyl orthoformate 19.4
    p-tert-butyltoluene 8.1
    methyl 4-tert-butylbenzoate 35.01
    morpholine 129.38
    tert-butylamine 25.21
    n-dodecanol 12.78
    dimethoxymethane 52.35
    ethylene carbonate 47.07
    cyrene 71.34
    2-ethoxyethyl acetate 23.3
    2-ethylhexyl acetate 13.44
    1,2,4-trichlorobenzene 18.89
    4-methylpyridine 23.94
    dibutyl ether 14.05
    2,6-dimethyl-4-heptanol 14.09
    DEF 45.07
    dimethyl isosorbide 82.45
    tetrachloroethylene 32.27
    eugenol 42.66
    triacetin 33.53
    span 80 61.18
    1,4-butanediol 56.38
    1,1-dichloroethane 12.14
    2-methyl-1-pentanol 16.74
    methyl formate 63.48
    2-methyl-1-butanol 30.4
    n-decane 2.88
    butyronitrile 22.88
    3,7-dimethyl-1-octanol 18.0
    1-chlorooctane 9.16
    1-chlorotetradecane 4.31
    n-nonane 2.79
    undecane 2.16
    tert-butylcyclohexane 2.1
    cyclooctane 2.4
    cyclopentanol 111.13
    tetrahydropyran 61.5
    tert-amyl methyl ether 10.95
    2,5,8-trioxanonane 93.76
    1-hexene 3.79
    2-isopropoxyethanol 40.61
    2,2,2-trifluoroethanol 71.68
    methyl butyrate 20.93

    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