1,2-Propanedithiol

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  • Identifiers

    CAS number
    814-67-5

    Molecular formula
    C3H8S2

    SMILES
    CC(CS)S

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 89.74%
    Meaty 78.88%
    Onion 68.18%
    Roasted 63.54%
    Garlic 59.88%
    Savory 54.93%
    Alliaceous 50.97%
    Beefy 43.44%
    Burnt 41.51%
    Cooked 40.44%

     

    Flavor
    Sulfurous 69.69%
    Onion 61.57%
    Meaty 57.72%
    Sulfury 49.66%
    Garlic 40.41%
    Roasted 33.77%
    Alliaceous 30.33%
    Fishy 30.11%
    Cooked 28.64%
    Cabbage 26.16%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    9.56 (weak base)

    Molecular weight
    108.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point

    • 152.00 °C. @ 760.00 mm Hg

    Flash point

    • 32.65 ˚C est.

    Solubility expt.

    • insoluble in water; miscible in oil

  • Synonyms

    • 1,2-PROPANEDITHIOL
    • 814-67-5
    • Propane-1,2-dithiol
    • 1,2-Dimercaptopropane
    • 1,2-Dithiolpropane
    • 2,3-Dimercaptopropane
    • 1,2-propane dithiol
    • 1-Methyl-1,2-ethanedithiol
    • FEMA No. 3520
    • EINECS 212-398-5
    • NSC 72085
    • BRN 1731080
    • 1,2-Propanedithiol-propylene dimercaptan
    • UNII-GS64223D79
    • AI3-28941
    • NSC-72085
    • YGKHJWTVMIMEPQ-UHFFFAOYSA-
    • DTXSID80862421
    • 1,2-PROPANEDITHIOL [FHFI]
    • 4-01-00-02492 (Beilstein Handbook Reference)
    • (+/-)-1,2-PROPANEDITHIOL
    • GS64223D79
    • 1,2-PROPANEDITHIOL, (+/-)-
    • 1,2-propandithiol
    • Propylenedithiol
    • NSC72085
    • MFCD00022073
    • Dithiopropylene glycol
    • Propylene dithioglycol
    • SCHEMBL179761
    • FEMA 3520
    • DTXCID10811189
    • AKOS015897618
    • NS00041893
    • P0821
    • T72965
    • EN300-6981677
    • Q4545659

  • Applications

    1,2-Propanedithiol (CAS 814-67-5) is a bifunctional thiol used as a building block in polymer chemistry and as a crosslinking/chain-extending agent. In coatings and adhesives, it acts as a curing agent for epoxy resins and as a crosslinker in polyurethane and polyester systems, contributing to improved mechanical properties and chemical resistance. It is also employed as an intermediate in organic synthesis to furnish thioether-containing derivatives and sulfur-containing linkages. In metal coordination chemistry and catalysis, the two thiol groups enable it to function as a ligand/chelating agent for metal complexes, enabling the preparation of sulfur-containing complexes and related catalysts. These typical roles reflect its versatility as a bifunctional sulfur-building block, with use dependent on formulation specifics and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 160.79
    methanol 168.24
    isopropanol 111.21
    water 3.06
    ethyl acetate 100.33
    n-propanol 137.07
    acetone 133.33
    n-butanol 146.71
    acetonitrile 86.81
    DMF 133.61
    toluene 42.06
    isobutanol 85.06
    1,4-dioxane 182.57
    methyl acetate 99.05
    THF 273.18
    2-butanone 122.68
    n-pentanol 101.23
    sec-butanol 117.65
    n-hexane 14.22
    ethylene glycol 54.92
    NMP 125.47
    cyclohexane 22.0
    DMSO 153.65
    n-butyl acetate 132.81
    n-octanol 79.33
    chloroform 204.46
    n-propyl acetate 71.9
    acetic acid 156.87
    dichloromethane 125.07
    cyclohexanone 139.21
    propylene glycol 77.02
    isopropyl acetate 64.4
    DMAc 132.87
    2-ethoxyethanol 138.38
    isopentanol 103.07
    n-heptane 30.31
    ethyl formate 67.38
    1,2-dichloroethane 72.91
    n-hexanol 162.23
    2-methoxyethanol 210.12
    isobutyl acetate 49.04
    tetrachloromethane 58.84
    n-pentyl acetate 79.28
    transcutol 364.3
    n-heptanol 95.43
    ethylbenzene 22.23
    MIBK 65.76
    2-propoxyethanol 208.28
    tert-butanol 123.27
    MTBE 91.97
    2-butoxyethanol 139.85
    propionic acid 105.33
    o-xylene 32.51
    formic acid 56.97
    diethyl ether 117.3
    m-xylene 30.85
    p-xylene 29.25
    chlorobenzene 59.72
    dimethyl carbonate 33.11
    n-octane 10.8
    formamide 70.41
    cyclopentanone 171.17
    2-pentanone 111.0
    anisole 63.23
    cyclopentyl methyl ether 113.69
    gamma-butyrolactone 134.19
    1-methoxy-2-propanol 156.81
    pyridine 137.86
    3-pentanone 83.01
    furfural 151.65
    n-dodecane 8.08
    diethylene glycol 166.18
    diisopropyl ether 34.42
    tert-amyl alcohol 114.84
    acetylacetone 108.35
    n-hexadecane 8.47
    acetophenone 60.18
    methyl propionate 74.64
    isopentyl acetate 91.87
    trichloroethylene 154.63
    n-nonanol 70.97
    cyclohexanol 95.85
    benzyl alcohol 68.12
    2-ethylhexanol 100.0
    isooctanol 67.04
    dipropyl ether 103.34
    1,2-dichlorobenzene 49.16
    ethyl lactate 47.15
    propylene carbonate 80.79
    n-methylformamide 74.38
    2-pentanol 96.92
    n-pentane 19.34
    1-propoxy-2-propanol 169.45
    1-methoxy-2-propyl acetate 99.32
    2-(2-methoxypropoxy) propanol 111.66
    mesitylene 20.16
    ε-caprolactone 114.07
    p-cymene 32.93
    epichlorohydrin 131.02
    1,1,1-trichloroethane 85.28
    2-aminoethanol 97.37
    morpholine-4-carbaldehyde 153.43
    sulfolane 141.08
    2,2,4-trimethylpentane 10.59
    2-methyltetrahydrofuran 170.43
    n-hexyl acetate 88.15
    isooctane 7.57
    2-(2-butoxyethoxy)ethanol 157.2
    sec-butyl acetate 50.71
    tert-butyl acetate 74.33
    decalin 9.55
    glycerin 108.54
    diglyme 226.92
    acrylic acid 91.23
    isopropyl myristate 39.66
    n-butyric acid 149.6
    acetyl acetate 69.9
    di(2-ethylhexyl) phthalate 43.65
    ethyl propionate 54.83
    nitromethane 129.89
    1,2-diethoxyethane 135.11
    benzonitrile 68.69
    trioctyl phosphate 34.69
    1-bromopropane 64.85
    gamma-valerolactone 170.19
    n-decanol 52.72
    triethyl phosphate 41.86
    4-methyl-2-pentanol 53.3
    propionitrile 82.94
    vinylene carbonate 71.25
    1,1,2-trichlorotrifluoroethane 147.3
    DMS 51.71
    cumene 19.34
    2-octanol 57.94
    2-hexanone 84.82
    octyl acetate 54.67
    limonene 53.11
    1,2-dimethoxyethane 160.82
    ethyl orthosilicate 45.77
    tributyl phosphate 36.74
    diacetone alcohol 108.28
    N,N-dimethylaniline 45.83
    acrylonitrile 83.69
    aniline 81.77
    1,3-propanediol 129.16
    bromobenzene 47.81
    dibromomethane 92.8
    1,1,2,2-tetrachloroethane 130.23
    2-methyl-cyclohexyl acetate 67.44
    tetrabutyl urea 49.41
    diisobutyl methanol 50.39
    2-phenylethanol 95.24
    styrene 30.26
    dioctyl adipate 57.18
    dimethyl sulfate 48.09
    ethyl butyrate 89.99
    methyl lactate 57.2
    butyl lactate 71.24
    diethyl carbonate 51.74
    propanediol butyl ether 113.18
    triethyl orthoformate 70.99
    p-tert-butyltoluene 32.98
    methyl 4-tert-butylbenzoate 70.68
    morpholine 197.58
    tert-butylamine 78.48
    n-dodecanol 40.88
    dimethoxymethane 103.54
    ethylene carbonate 59.78
    cyrene 86.12
    2-ethoxyethyl acetate 93.29
    2-ethylhexyl acetate 78.61
    1,2,4-trichlorobenzene 69.38
    4-methylpyridine 108.57
    dibutyl ether 70.86
    2,6-dimethyl-4-heptanol 50.39
    DEF 102.64
    dimethyl isosorbide 147.25
    tetrachloroethylene 110.21
    eugenol 78.37
    triacetin 83.52
    span 80 112.64
    1,4-butanediol 58.17
    1,1-dichloroethane 83.75
    2-methyl-1-pentanol 82.39
    methyl formate 54.94
    2-methyl-1-butanol 97.71
    n-decane 13.57
    butyronitrile 98.21
    3,7-dimethyl-1-octanol 65.01
    1-chlorooctane 38.8
    1-chlorotetradecane 16.91
    n-nonane 13.13
    undecane 9.9
    tert-butylcyclohexane 10.42
    cyclooctane 9.47
    cyclopentanol 107.61
    tetrahydropyran 170.83
    tert-amyl methyl ether 75.71
    2,5,8-trioxanonane 171.35
    1-hexene 45.27
    2-isopropoxyethanol 103.55
    2,2,2-trifluoroethanol 57.03
    methyl butyrate 71.9

    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