1,3-Bis(hydroxymethyl)-2-imidazolidinethione

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  • Identifiers

    CAS number
    15534-95-9

    Molecular formula
    C5H10N2O2S

    SMILES
    C1CN(C(=S)N1CO)CO

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Odorless 58.46%
    Fishy 30.2%
    Meaty 24.67%
    Savory 23.51%
    Sweet 21.65%
    Nutty 20.23%
    Cooling 20.15%
    Roasted 19.96%
    Popcorn 18.01%
    Cooked 16.88%

     

    Flavor
    Bitter 60.07%
    Odorless 38.91%
    Roasted 25.47%
    Sweet-like 24.58%
    Very mild 21.58%
    Bland 21.5%
    Alkaline 20.72%
    Bouillon 20.67%
    Bread crust 20.48%
    Cooked beef juice 20.42%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.8

    pKa est.
    8.25 (weak base)

    Molecular weight
    162.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    466°C

    Flash point

    • 170.32 ˚C est.

  • Synonyms

    • 15534-95-9
    • Dimethylol ethylene thiourea
    • Dimethylolethylenethiourea
    • 1,3-Bis(hydroxymethyl)-2-imidazolidinethione
    • 2-IMIDAZOLIDINETHIONE, 1,3-BIS(HYDROXYMETHYL)-
    • 1,3-Bis(hydroxymethyl)imidazolidin-2-thione
    • BRN 0638446
    • EINECS 239-579-1
    • UNII-H09EK3X952
    • AI3-51415
    • H09EK3X952
    • DTXSID3065908
    • BIS(HYDROXYMETHYL)IMIDAZOLIDIN-2-THIONE, 1,3-
    • RefChem:72525
    • DTXCID3035000
    • DIMETHYLOL ETHYLENE THIOUREA [INCI]
    • 239-579-1
    • 1,3-Bis(hydroxymethyl)imidazolidine-2-thione
    • SCHEMBL1068943
    • QXYJLKUVMPXXKA-UHFFFAOYSA-N
    • NS00013599
    • E83755
    • Q27279399
    • 15534-95-9

  • Applications

    1,3-Bis(hydroxymethyl)-2-imidazolidinethione (CAS 15534-95-9) is primarily used as an intermediate in organic synthesis and as a building block for specialty polymers. It can function as a crosslinking or chain-extending agent in polyurethane and epoxy formulations to enhance network formation. It is employed as a reactive component in coatings and inks formulations to tune cure behavior and adhesion. Additionally, it may serve as a precursor to functional monomers or ligands and can play processing or stabilizing roles in polymer systems depending on formulation requirements and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.45
    methanol 47.74
    isopropanol 5.45
    water 175.46
    ethyl acetate 4.16
    n-propanol 6.76
    acetone 7.43
    n-butanol 5.24
    acetonitrile 10.08
    DMF 162.86
    toluene 0.84
    isobutanol 4.19
    1,4-dioxane 16.39
    methyl acetate 6.61
    THF 16.77
    2-butanone 4.94
    n-pentanol 2.73
    sec-butanol 3.6
    n-hexane 0.05
    ethylene glycol 64.3
    NMP 174.81
    cyclohexane 0.26
    DMSO 250.02
    n-butyl acetate 3.04
    n-octanol 2.84
    chloroform 8.44
    n-propyl acetate 2.25
    acetic acid 47.31
    dichloromethane 14.22
    cyclohexanone 17.86
    propylene glycol 26.78
    isopropyl acetate 2.62
    DMAc 126.01
    2-ethoxyethanol 23.19
    isopentanol 3.54
    n-heptane 0.21
    ethyl formate 12.61
    1,2-dichloroethane 7.72
    n-hexanol 3.24
    2-methoxyethanol 67.44
    isobutyl acetate 1.38
    tetrachloromethane 2.4
    n-pentyl acetate 3.56
    transcutol 19.6
    n-heptanol 3.42
    ethylbenzene 0.51
    MIBK 2.31
    2-propoxyethanol 19.86
    tert-butanol 5.5
    MTBE 1.33
    2-butoxyethanol 13.73
    propionic acid 18.84
    o-xylene 1.66
    formic acid 172.68
    diethyl ether 1.27
    m-xylene 1.18
    p-xylene 0.95
    chlorobenzene 2.86
    dimethyl carbonate 8.07
    n-octane 0.13
    formamide 164.71
    cyclopentanone 24.77
    2-pentanone 3.34
    anisole 2.33
    cyclopentyl methyl ether 4.21
    gamma-butyrolactone 49.45
    1-methoxy-2-propanol 30.9
    pyridine 11.82
    3-pentanone 3.32
    furfural 71.71
    n-dodecane 0.14
    diethylene glycol 45.64
    diisopropyl ether 0.5
    tert-amyl alcohol 4.09
    acetylacetone 8.92
    n-hexadecane 0.17
    acetophenone 5.87
    methyl propionate 7.14
    isopentyl acetate 2.82
    trichloroethylene 15.71
    n-nonanol 2.89
    cyclohexanol 5.51
    benzyl alcohol 7.12
    2-ethylhexanol 2.13
    isooctanol 2.77
    dipropyl ether 1.61
    1,2-dichlorobenzene 4.85
    ethyl lactate 8.33
    propylene carbonate 22.16
    n-methylformamide 75.73
    2-pentanol 2.06
    n-pentane 0.09
    1-propoxy-2-propanol 10.61
    1-methoxy-2-propyl acetate 7.95
    2-(2-methoxypropoxy) propanol 11.83
    mesitylene 1.08
    ε-caprolactone 19.61
    p-cymene 1.44
    epichlorohydrin 26.9
    1,1,1-trichloroethane 4.08
    2-aminoethanol 42.74
    morpholine-4-carbaldehyde 100.15
    sulfolane 116.71
    2,2,4-trimethylpentane 0.11
    2-methyltetrahydrofuran 6.99
    n-hexyl acetate 3.93
    isooctane 0.08
    2-(2-butoxyethoxy)ethanol 13.54
    sec-butyl acetate 1.39
    tert-butyl acetate 2.92
    decalin 0.15
    glycerin 89.86
    diglyme 26.59
    acrylic acid 34.21
    isopropyl myristate 1.89
    n-butyric acid 15.97
    acetyl acetate 5.19
    di(2-ethylhexyl) phthalate 5.24
    ethyl propionate 2.71
    nitromethane 71.94
    1,2-diethoxyethane 3.54
    benzonitrile 8.8
    trioctyl phosphate 3.91
    1-bromopropane 1.62
    gamma-valerolactone 59.21
    n-decanol 2.12
    triethyl phosphate 4.37
    4-methyl-2-pentanol 1.44
    propionitrile 5.68
    vinylene carbonate 25.52
    1,1,2-trichlorotrifluoroethane 59.81
    DMS 6.24
    cumene 0.58
    2-octanol 1.93
    2-hexanone 1.89
    octyl acetate 2.89
    limonene 1.95
    1,2-dimethoxyethane 18.05
    ethyl orthosilicate 3.41
    tributyl phosphate 3.61
    diacetone alcohol 10.14
    N,N-dimethylaniline 3.18
    acrylonitrile 14.85
    aniline 5.06
    1,3-propanediol 34.25
    bromobenzene 2.11
    dibromomethane 5.42
    1,1,2,2-tetrachloroethane 13.24
    2-methyl-cyclohexyl acetate 3.96
    tetrabutyl urea 6.61
    diisobutyl methanol 1.6
    2-phenylethanol 6.64
    styrene 0.6
    dioctyl adipate 4.48
    dimethyl sulfate 31.46
    ethyl butyrate 3.24
    methyl lactate 23.56
    butyl lactate 7.4
    diethyl carbonate 3.19
    propanediol butyl ether 13.45
    triethyl orthoformate 3.54
    p-tert-butyltoluene 1.47
    methyl 4-tert-butylbenzoate 10.89
    morpholine 21.8
    tert-butylamine 1.98
    n-dodecanol 1.58
    dimethoxymethane 21.51
    ethylene carbonate 16.92
    cyrene 28.85
    2-ethoxyethyl acetate 6.31
    2-ethylhexyl acetate 2.26
    1,2,4-trichlorobenzene 7.3
    4-methylpyridine 8.7
    dibutyl ether 1.13
    2,6-dimethyl-4-heptanol 1.6
    DEF 18.46
    dimethyl isosorbide 22.38
    tetrachloroethylene 10.18
    eugenol 13.81
    triacetin 8.48
    span 80 11.7
    1,4-butanediol 15.93
    1,1-dichloroethane 3.74
    2-methyl-1-pentanol 2.21
    methyl formate 47.16
    2-methyl-1-butanol 3.51
    n-decane 0.2
    butyronitrile 5.14
    3,7-dimethyl-1-octanol 2.4
    1-chlorooctane 0.9
    1-chlorotetradecane 0.48
    n-nonane 0.16
    undecane 0.16
    tert-butylcyclohexane 0.11
    cyclooctane 0.13
    cyclopentanol 10.31
    tetrahydropyran 4.24
    tert-amyl methyl ether 1.52
    2,5,8-trioxanonane 21.28
    1-hexene 0.17
    2-isopropoxyethanol 9.75
    2,2,2-trifluoroethanol 50.36
    methyl butyrate 4.45

    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