Dithiodiglycolic acid

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  • Identifiers

    CAS number
    505-73-7

    Molecular formula
    C4H6O4S2

    SMILES
    C(C(=O)O)SSCC(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 74.89%
    Meaty 52.47%
    Savory 47.18%
    Roasted 45.55%
    Onion 44.98%
    Alliaceous 37.66%
    Garlic 37.34%
    Cooked 37.16%
    Tropical 24.72%
    Cabbage 24.49%

     

    Flavor
    Odorless 43.73%
    Sulfury 33.05%
    Cooked 30.91%
    Mild 30.02%
    Roasted 27.52%
    Cabbage 26.21%
    Nutty 26.18%
    Bland 24.82%
    Sulfurous 22.93%
    Yeast 22.25%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.1

    pKa est.
    4.93 (weak acid)

    Molecular weight
    182.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    395°C

    Flash point

    • 197.91 ˚C est.

  • Synonyms

    • Dithiodiglycolic acid
    • 505-73-7
    • Acetic acid, 2,2'-dithiobis-
    • Dithiodiacetic acid
    • Dithioglycolic acid
    • 2,2'-Dithiodiacetic acid
    • Thioglycolate disulfide
    • Acetic acid, dithiodi-
    • 7ZZ0LAL4TI
    • Bis(carboxymethyl) disulfide
    • NSC-54088
    • NSC 54088
    • 2,2'-Dithiobisacetic acid
    • mercaptoacetic acid disulfide
    • 2,2'-Dithiodi(acetic) acid
    • BIS(MERCAPTOACETIC ACID)
    • DTXSID6060131
    • 2,2'-DITHIODIETHANOIC ACID
    • EINECS 208-019-8
    • Acetic acid, dithiodi
    • 2,2'Dithiodiacetic acid
    • RefChem:589843
    • 2,2'Dithiobisacetic acid
    • 2,2'Dithiodi(acetic) acid
    • Acetic acid, 2,2'dithiobis
    • Acetic acid, dithiodi (8CI)
    • Acetic acid, dithiodi-(8CI)
    • DTXCID9040849
    • DITHIODIGLYCOLIC ACID [INCI]
    • 2-(carboxymethyldisulfanyl)acetic acid
    • NSC54088
    • MFCD00039607
    • 2,2'-disulfanediyldiacetic acid
    • DithiodiglycolicAcid
    • Dithiodiglycollic acid
    • 2,2-dithioglycolic acid
    • UNII-7ZZ0LAL4TI
    • 3,4-Dithiahexanedioic acid
    • Acetic acid,2'-dithiobis-
    • NCIStruc1_000215
    • NCIStruc2_000205
    • 2,2'-Dithiodiglycolic acid
    • SCHEMBL298385
    • Dithiodiglycolic acid, >=98%
    • CHEMBL1611974
    • DLLMHEDYJQACRM-UHFFFAOYSA-
    • NCI54088
    • CCG-36549
    • NCGC00013664
    • AKOS028108559
    • AT13108
    • MSK173934-1000W
    • NCGC00013664-02
    • NCGC00096776-01
    • I+/-,I+/-'-DithiodiessigsA currencyure
    • NCI60_004335
    • SY052127
    • DB-051794
    • CS-0158473
    • D0945
    • NS00002017
    • F547660
    • Dithiodiglycolic acid Solution in Water, 1000ug/mL
    • Q27269092
    • 2,2 inverted exclamation mark -Disulfanediyldiacetic Acid
    • InChI=1/C4H6O4S2/c5-3(6)1-9-10-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
    • 505-73-7

  • Applications

    Dithiodiglycolic acid (CAS 505-73-7) is primarily used as a chemical intermediate to introduce disulfide functionality into organic molecules. It serves as a crosslinking agent in polymer, coating, and adhesive formulations, enabling redox-responsive networking via its disulfide linkage. It also acts as a building block for sulfur-containing linkers in specialty materials such as redox-responsive polymers and hydrogels, and can underpin the synthesis of downstream compounds for pharmaceutical and agrochemical applications under appropriate controls. Use is subject to formulation specifics and regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 43.36
    methanol 94.32
    isopropanol 21.2
    water 19.68
    ethyl acetate 14.87
    n-propanol 22.99
    acetone 47.15
    n-butanol 15.67
    acetonitrile 15.37
    DMF 273.94
    toluene 3.37
    isobutanol 11.74
    1,4-dioxane 30.79
    methyl acetate 22.74
    THF 69.54
    2-butanone 29.43
    n-pentanol 9.33
    sec-butanol 16.03
    n-hexane 2.2
    ethylene glycol 43.03
    NMP 150.71
    cyclohexane 2.31
    DMSO 406.44
    n-butyl acetate 11.34
    n-octanol 9.28
    chloroform 10.16
    n-propyl acetate 9.06
    acetic acid 24.1
    dichloromethane 13.46
    cyclohexanone 25.69
    propylene glycol 29.26
    isopropyl acetate 9.29
    DMAc 185.67
    2-ethoxyethanol 43.58
    isopentanol 10.33
    n-heptane 2.14
    ethyl formate 26.8
    1,2-dichloroethane 14.62
    n-hexanol 10.77
    2-methoxyethanol 115.4
    isobutyl acetate 3.19
    tetrachloromethane 4.75
    n-pentyl acetate 7.13
    transcutol 51.49
    n-heptanol 6.13
    ethylbenzene 3.16
    MIBK 9.95
    2-propoxyethanol 40.88
    tert-butanol 22.46
    MTBE 11.47
    2-butoxyethanol 17.93
    propionic acid 20.5
    o-xylene 5.25
    formic acid 66.04
    diethyl ether 16.39
    m-xylene 2.88
    p-xylene 3.33
    chlorobenzene 3.65
    dimethyl carbonate 22.03
    n-octane 0.98
    formamide 110.87
    cyclopentanone 46.8
    2-pentanone 20.52
    anisole 11.33
    cyclopentyl methyl ether 19.53
    gamma-butyrolactone 48.86
    1-methoxy-2-propanol 63.26
    pyridine 18.07
    3-pentanone 18.91
    furfural 65.35
    n-dodecane 0.76
    diethylene glycol 53.15
    diisopropyl ether 3.94
    tert-amyl alcohol 18.17
    acetylacetone 25.64
    n-hexadecane 0.83
    acetophenone 15.15
    methyl propionate 23.06
    isopentyl acetate 7.83
    trichloroethylene 14.81
    n-nonanol 8.05
    cyclohexanol 11.79
    benzyl alcohol 11.09
    2-ethylhexanol 6.1
    isooctanol 4.13
    dipropyl ether 10.09
    1,2-dichlorobenzene 5.15
    ethyl lactate 13.56
    propylene carbonate 22.18
    n-methylformamide 112.97
    2-pentanol 9.68
    n-pentane 2.26
    1-propoxy-2-propanol 26.65
    1-methoxy-2-propyl acetate 19.31
    2-(2-methoxypropoxy) propanol 26.04
    mesitylene 2.68
    ε-caprolactone 23.63
    p-cymene 3.73
    epichlorohydrin 40.79
    1,1,1-trichloroethane 6.78
    2-aminoethanol 46.81
    morpholine-4-carbaldehyde 111.42
    sulfolane 108.21
    2,2,4-trimethylpentane 0.9
    2-methyltetrahydrofuran 26.76
    n-hexyl acetate 10.44
    isooctane 0.54
    2-(2-butoxyethoxy)ethanol 26.45
    sec-butyl acetate 4.96
    tert-butyl acetate 11.22
    decalin 1.32
    glycerin 60.31
    diglyme 53.74
    acrylic acid 22.88
    isopropyl myristate 4.82
    n-butyric acid 17.23
    acetyl acetate 8.67
    di(2-ethylhexyl) phthalate 7.12
    ethyl propionate 11.44
    nitromethane 61.12
    1,2-diethoxyethane 12.01
    benzonitrile 7.12
    trioctyl phosphate 5.73
    1-bromopropane 7.75
    gamma-valerolactone 70.07
    n-decanol 5.97
    triethyl phosphate 8.99
    4-methyl-2-pentanol 4.78
    propionitrile 11.68
    vinylene carbonate 19.62
    1,1,2-trichlorotrifluoroethane 52.99
    DMS 11.46
    cumene 2.77
    2-octanol 4.61
    2-hexanone 11.69
    octyl acetate 6.79
    limonene 5.52
    1,2-dimethoxyethane 76.39
    ethyl orthosilicate 7.57
    tributyl phosphate 7.03
    diacetone alcohol 25.44
    N,N-dimethylaniline 14.37
    acrylonitrile 17.77
    aniline 9.98
    1,3-propanediol 40.82
    bromobenzene 2.76
    dibromomethane 9.18
    1,1,2,2-tetrachloroethane 17.13
    2-methyl-cyclohexyl acetate 8.35
    tetrabutyl urea 14.52
    diisobutyl methanol 4.32
    2-phenylethanol 10.56
    styrene 3.23
    dioctyl adipate 8.48
    dimethyl sulfate 58.17
    ethyl butyrate 10.5
    methyl lactate 32.34
    butyl lactate 11.17
    diethyl carbonate 7.7
    propanediol butyl ether 21.31
    triethyl orthoformate 9.16
    p-tert-butyltoluene 3.81
    methyl 4-tert-butylbenzoate 18.88
    morpholine 45.91
    tert-butylamine 11.62
    n-dodecanol 4.38
    dimethoxymethane 92.57
    ethylene carbonate 14.17
    cyrene 29.99
    2-ethoxyethyl acetate 11.24
    2-ethylhexyl acetate 6.39
    1,2,4-trichlorobenzene 6.4
    4-methylpyridine 17.69
    dibutyl ether 6.45
    2,6-dimethyl-4-heptanol 4.32
    DEF 49.04
    dimethyl isosorbide 45.23
    tetrachloroethylene 13.92
    eugenol 18.92
    triacetin 12.96
    span 80 16.0
    1,4-butanediol 15.2
    1,1-dichloroethane 7.66
    2-methyl-1-pentanol 6.44
    methyl formate 77.11
    2-methyl-1-butanol 10.68
    n-decane 1.36
    butyronitrile 10.65
    3,7-dimethyl-1-octanol 6.66
    1-chlorooctane 3.94
    1-chlorotetradecane 1.72
    n-nonane 1.36
    undecane 0.99
    tert-butylcyclohexane 1.07
    cyclooctane 1.19
    cyclopentanol 18.12
    tetrahydropyran 17.93
    tert-amyl methyl ether 12.92
    2,5,8-trioxanonane 41.62
    1-hexene 4.31
    2-isopropoxyethanol 18.5
    2,2,2-trifluoroethanol 23.77
    methyl butyrate 15.29

    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