1,5-Pentanedithiol

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  • Identifiers

    CAS number
    928-98-3

    Molecular formula
    C5H12S2

    SMILES
    C(CCS)CCS

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 88.59%
    Meaty 82.19%
    Savory 57.0%
    Roasted 56.15%
    Fatty 54.54%
    Garlic 53.88%
    Onion 53.06%
    Burnt 51.49%
    Alliaceous 50.14%
    Vegetable 44.37%

     

    Flavor
    Sulfurous 66.51%
    Meaty 61.39%
    Sulfury 51.59%
    Onion 50.85%
    Fatty 43.49%
    Garlic 40.84%
    Burnt 39.32%
    Roasted 37.12%
    Fishy 35.57%
    Vegetable 28.82%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    6.56 (neutral)

    Molecular weight
    136.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    218°C

    Flash point

    • 82.34 ˚C est.

  • Synonyms

    • 1,5-Pentanedithiol
    • Pentane-1,5-dithiol
    • 1,5-Dimercaptopentane
    • UNII-R8RC3Q7T1W
    • R8RC3Q7T1W
    • EINECS 213-194-9
    • NSC-51699
    • 1,5-DITHIOLPENTANE
    • DTXSID40239150
    • NSC 51699
    • RefChem:73553
    • DTXCID60161641
    • KMTUBAIXCBHPIZ-UHFFFAOYSA-N
    • 928-98-3
    • MFCD00004908
    • Pentamethylene dimercaptan
    • NSC51699
    • SCHEMBL63170
    • 1,5-Pentanedithiol, 96%
    • SCHEMBL5637902
    • SCHEMBL7338447
    • SCHEMBL13359096
    • SCHEMBL28929881
    • AKOS015856602
    • AS-57002
    • DB-057344
    • NS00039503
    • P1518
    • D92137
    • EN300-6928501
    • Q21099232
    • 928-98-3

  • Applications

    1,5-pentanedithiol is primarily used as a difunctional thiol crosslinker and curing agent for epoxy resins and other thermosetting formulations in coatings and adhesives, enabling higher crosslink density and improved chemical resistance. It can also function as a chain extender in polymer formulations to tune network structure and mechanical properties. In thiol-epoxy and thiol-ene coating systems, it participates in rapid curing and network formation. It is used for surface modification by forming self-assembled monolayers on gold and other substrates to create defined molecular junctions for electronics and sensor applications. In electronics and nano-scale devices, it acts as a molecular linker or interfacial layer to connect metal surfaces and polymer networks. Its use in protective coatings and corrosion-resistant formulations is evaluated where strong thiol crosslinking is advantageous.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 175.26
    methanol 127.05
    isopropanol 164.81
    water 0.12
    ethyl acetate 138.76
    n-propanol 178.74
    acetone 237.97
    n-butanol 212.07
    acetonitrile 106.35
    DMF 205.61
    toluene 135.39
    isobutanol 125.91
    1,4-dioxane 395.94
    methyl acetate 111.44
    THF 847.74
    2-butanone 178.5
    n-pentanol 135.7
    sec-butanol 153.35
    n-hexane 112.15
    ethylene glycol 30.39
    NMP 244.08
    cyclohexane 293.35
    DMSO 376.54
    n-butyl acetate 289.58
    n-octanol 119.72
    chloroform 496.94
    n-propyl acetate 135.01
    acetic acid 142.16
    dichloromethane 410.29
    cyclohexanone 458.58
    propylene glycol 46.98
    isopropyl acetate 97.51
    DMAc 117.75
    2-ethoxyethanol 129.24
    isopentanol 138.7
    n-heptane 287.19
    ethyl formate 95.68
    1,2-dichloroethane 242.5
    n-hexanol 271.5
    2-methoxyethanol 193.94
    isobutyl acetate 101.31
    tetrachloromethane 144.36
    n-pentyl acetate 144.59
    transcutol 393.81
    n-heptanol 133.44
    ethylbenzene 72.46
    MIBK 102.04
    2-propoxyethanol 247.51
    tert-butanol 184.12
    MTBE 141.49
    2-butoxyethanol 158.49
    propionic acid 109.0
    o-xylene 79.0
    formic acid 22.48
    diethyl ether 230.81
    m-xylene 76.53
    p-xylene 93.44
    chlorobenzene 163.73
    dimethyl carbonate 36.9
    n-octane 65.63
    formamide 32.82
    cyclopentanone 472.29
    2-pentanone 189.35
    anisole 106.88
    cyclopentyl methyl ether 306.55
    gamma-butyrolactone 340.73
    1-methoxy-2-propanol 162.73
    pyridine 323.94
    3-pentanone 131.29
    furfural 262.74
    n-dodecane 33.28
    diethylene glycol 128.59
    diisopropyl ether 77.3
    tert-amyl alcohol 129.82
    acetylacetone 155.86
    n-hexadecane 38.08
    acetophenone 103.6
    methyl propionate 94.66
    isopentyl acetate 201.14
    trichloroethylene 362.89
    n-nonanol 106.92
    cyclohexanol 252.7
    benzyl alcohol 93.28
    2-ethylhexanol 202.8
    isooctanol 101.21
    dipropyl ether 370.66
    1,2-dichlorobenzene 127.29
    ethyl lactate 56.37
    propylene carbonate 191.07
    n-methylformamide 79.47
    2-pentanol 135.49
    n-pentane 133.64
    1-propoxy-2-propanol 248.71
    1-methoxy-2-propyl acetate 148.99
    2-(2-methoxypropoxy) propanol 119.23
    mesitylene 55.05
    ε-caprolactone 285.27
    p-cymene 92.93
    epichlorohydrin 292.68
    1,1,1-trichloroethane 267.07
    2-aminoethanol 57.63
    morpholine-4-carbaldehyde 230.9
    sulfolane 390.16
    2,2,4-trimethylpentane 29.96
    2-methyltetrahydrofuran 484.99
    n-hexyl acetate 164.24
    isooctane 25.68
    2-(2-butoxyethoxy)ethanol 178.56
    sec-butyl acetate 87.33
    tert-butyl acetate 104.76
    decalin 54.45
    glycerin 61.92
    diglyme 336.61
    acrylic acid 87.44
    isopropyl myristate 88.6
    n-butyric acid 194.56
    acetyl acetate 85.61
    di(2-ethylhexyl) phthalate 68.33
    ethyl propionate 95.12
    nitromethane 135.55
    1,2-diethoxyethane 246.96
    benzonitrile 139.01
    trioctyl phosphate 64.29
    1-bromopropane 279.68
    gamma-valerolactone 362.93
    n-decanol 82.86
    triethyl phosphate 83.18
    4-methyl-2-pentanol 68.1
    propionitrile 134.26
    vinylene carbonate 145.86
    1,1,2-trichlorotrifluoroethane 195.28
    DMS 75.72
    cumene 51.54
    2-octanol 90.81
    2-hexanone 164.54
    octyl acetate 99.64
    limonene 178.46
    1,2-dimethoxyethane 277.3
    ethyl orthosilicate 90.06
    tributyl phosphate 72.24
    diacetone alcohol 113.33
    N,N-dimethylaniline 79.61
    acrylonitrile 123.53
    aniline 121.61
    1,3-propanediol 102.79
    bromobenzene 174.34
    dibromomethane 361.56
    1,1,2,2-tetrachloroethane 316.49
    2-methyl-cyclohexyl acetate 150.46
    tetrabutyl urea 104.87
    diisobutyl methanol 118.92
    2-phenylethanol 123.4
    styrene 94.84
    dioctyl adipate 115.27
    dimethyl sulfate 60.38
    ethyl butyrate 211.89
    methyl lactate 50.33
    butyl lactate 102.47
    diethyl carbonate 112.46
    propanediol butyl ether 118.86
    triethyl orthoformate 154.53
    p-tert-butyltoluene 90.11
    methyl 4-tert-butylbenzoate 105.78
    morpholine 396.82
    tert-butylamine 145.83
    n-dodecanol 70.1
    dimethoxymethane 151.44
    ethylene carbonate 133.14
    cyrene 116.53
    2-ethoxyethyl acetate 127.79
    2-ethylhexyl acetate 181.05
    1,2,4-trichlorobenzene 143.57
    4-methylpyridine 233.88
    dibutyl ether 223.38
    2,6-dimethyl-4-heptanol 118.92
    DEF 156.82
    dimethyl isosorbide 211.75
    tetrachloroethylene 238.56
    eugenol 105.28
    triacetin 118.83
    span 80 163.7
    1,4-butanediol 45.55
    1,1-dichloroethane 251.6
    2-methyl-1-pentanol 100.51
    methyl formate 62.48
    2-methyl-1-butanol 127.62
    n-decane 59.77
    butyronitrile 189.74
    3,7-dimethyl-1-octanol 108.98
    1-chlorooctane 118.62
    1-chlorotetradecane 54.31
    n-nonane 69.44
    undecane 41.59
    tert-butylcyclohexane 43.35
    cyclooctane 90.54
    cyclopentanol 267.72
    tetrahydropyran 606.13
    tert-amyl methyl ether 111.86
    2,5,8-trioxanonane 236.69
    1-hexene 201.15
    2-isopropoxyethanol 101.64
    2,2,2-trifluoroethanol 36.87
    methyl butyrate 142.58

    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