2-Mercaptoethyl decanoate

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  • Identifiers

    CAS number
    68928-33-6

    Molecular formula
    C12H24O2S

    SMILES
    CCCCCCCCCC(=O)OCCS

    Safety labels

  • Odor profile

    Fragrance
    Fatty 53.9%
    Fruity 53.38%
    Sulfurous 41.97%
    Tropical 39.23%
    Meaty 37.3%
    Peach 36.0%
    Savory 34.75%
    Waxy 34.49%
    Oily 32.51%
    Cheesy 30.95%

     

    Flavor
    Waxy 53.57%
    Fatty 47.27%
    Fruity 47.18%
    Oily 45.3%
    Soapy 35.69%
    Creamy 34.98%
    Cheese 34.36%
    Mushroom 33.22%
    Coconut 32.82%
    Green 32.33%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    7.65 (neutral)

    Molecular weight
    232.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    303°C

    Flash point

    • 120.71 ˚C est.

  • Synonyms

    • 2-Mercaptoethyl decanoate
    • Decanoic acid, 2-mercaptoethyl ester
    • UNII-0EG3V3ZBZ4
    • 0EG3V3ZBZ4
    • mercaptoethyl caprate
    • EINECS 273-001-9
    • DTXSID3071852
    • RefChem:87779
    • DTXCID1046340
    • 273-001-9
    • 68928-33-6
    • 2-sulfanylethyl decanoate
    • Decanoic acid,2-mercaptoethyl ester
    • orb1986764
    • SCHEMBL2009761
    • SCHEMBL2256512
    • ZXNNPJMEFLZCMP-UHFFFAOYSA-N
    • AKOS040749920
    • NS00036764
    • Q27236677
    • 68928-33-6

  • Applications

    2-Mercaptoethyl decanoate (CAS 68928-33-6) can be used as an intermediate in organic synthesis, owing to its thiol-functionalized ester. The free thiol enables it to act as a chain-transfer agent in radical polymerizations, helping to control polymer molecular weight. It may be evaluated as a fragrance ingredient or fixative for perfumery and cosmetic formulations, leveraging the thiol moiety. In coatings and inks, the thiol group can enable surface bonding, suggesting use as a surface modifier or adhesion-promoting coupling agent. It can also serve as a reactive precursor for thiol-ene chemistries to prepare thiol-containing polymers or networks. Use is subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1797.18
    methanol 2082.64
    isopropanol 1539.91
    water 0.1
    ethyl acetate 1536.68
    n-propanol 1263.35
    acetone 4081.75
    n-butanol 1106.3
    acetonitrile 1338.11
    DMF 2377.38
    toluene 540.56
    isobutanol 927.61
    1,4-dioxane 1868.75
    methyl acetate 1281.23
    THF 2986.54
    2-butanone 2071.01
    n-pentanol 861.48
    sec-butanol 1089.88
    n-hexane 159.69
    ethylene glycol 132.18
    NMP 1672.27
    cyclohexane 309.09
    DMSO 3820.43
    n-butyl acetate 1272.47
    n-octanol 312.75
    chloroform 2788.72
    n-propyl acetate 1345.94
    acetic acid 1362.97
    dichloromethane 2636.53
    cyclohexanone 3140.52
    propylene glycol 277.68
    isopropyl acetate 996.94
    DMAc 1585.58
    2-ethoxyethanol 1087.94
    isopentanol 997.47
    n-heptane 70.0
    ethyl formate 792.22
    1,2-dichloroethane 2027.92
    n-hexanol 663.94
    2-methoxyethanol 1555.49
    isobutyl acetate 789.27
    tetrachloromethane 371.79
    n-pentyl acetate 864.25
    transcutol 3457.56
    n-heptanol 282.66
    ethylbenzene 298.69
    MIBK 891.08
    2-propoxyethanol 984.95
    tert-butanol 1619.98
    MTBE 1427.03
    2-butoxyethanol 628.01
    propionic acid 857.04
    o-xylene 325.41
    formic acid 262.02
    diethyl ether 1507.13
    m-xylene 341.76
    p-xylene 445.73
    chlorobenzene 859.29
    dimethyl carbonate 246.83
    n-octane 32.47
    formamide 450.82
    cyclopentanone 2520.05
    2-pentanone 1786.22
    anisole 610.17
    cyclopentyl methyl ether 1249.0
    gamma-butyrolactone 2118.47
    1-methoxy-2-propanol 1135.34
    pyridine 1906.71
    3-pentanone 995.74
    furfural 1594.18
    n-dodecane 22.88
    diethylene glycol 608.13
    diisopropyl ether 336.33
    tert-amyl alcohol 1145.05
    acetylacetone 1597.96
    n-hexadecane 27.62
    acetophenone 702.62
    methyl propionate 849.55
    isopentyl acetate 981.62
    trichloroethylene 3339.85
    n-nonanol 262.88
    cyclohexanol 1181.92
    benzyl alcohol 570.07
    2-ethylhexanol 409.26
    isooctanol 254.65
    dipropyl ether 544.78
    1,2-dichlorobenzene 746.19
    ethyl lactate 326.75
    propylene carbonate 1008.98
    n-methylformamide 892.28
    2-pentanol 777.93
    n-pentane 97.45
    1-propoxy-2-propanol 804.9
    1-methoxy-2-propyl acetate 820.66
    2-(2-methoxypropoxy) propanol 522.16
    mesitylene 225.29
    ε-caprolactone 1957.58
    p-cymene 177.56
    epichlorohydrin 2270.21
    1,1,1-trichloroethane 1775.37
    2-aminoethanol 408.16
    morpholine-4-carbaldehyde 1590.24
    sulfolane 2265.99
    2,2,4-trimethylpentane 49.82
    2-methyltetrahydrofuran 2161.66
    n-hexyl acetate 890.76
    isooctane 38.46
    2-(2-butoxyethoxy)ethanol 806.08
    sec-butyl acetate 785.39
    tert-butyl acetate 971.54
    decalin 103.86
    glycerin 327.68
    diglyme 1721.68
    acrylic acid 624.63
    isopropyl myristate 269.72
    n-butyric acid 1518.19
    acetyl acetate 799.44
    di(2-ethylhexyl) phthalate 236.18
    ethyl propionate 785.94
    nitromethane 2270.68
    1,2-diethoxyethane 1199.05
    benzonitrile 866.64
    trioctyl phosphate 176.36
    1-bromopropane 1242.2
    gamma-valerolactone 2640.54
    n-decanol 173.69
    triethyl phosphate 261.86
    4-methyl-2-pentanol 384.17
    propionitrile 918.21
    vinylene carbonate 868.69
    1,1,2-trichlorotrifluoroethane 1402.37
    DMS 575.81
    cumene 196.72
    2-octanol 242.42
    2-hexanone 1399.45
    octyl acetate 328.79
    limonene 310.68
    1,2-dimethoxyethane 2027.1
    ethyl orthosilicate 258.91
    tributyl phosphate 244.02
    diacetone alcohol 923.65
    N,N-dimethylaniline 386.89
    acrylonitrile 1007.35
    aniline 643.68
    1,3-propanediol 733.99
    bromobenzene 963.22
    dibromomethane 1876.06
    1,1,2,2-tetrachloroethane 2628.85
    2-methyl-cyclohexyl acetate 505.77
    tetrabutyl urea 325.17
    diisobutyl methanol 229.39
    2-phenylethanol 479.88
    styrene 463.05
    dioctyl adipate 424.29
    dimethyl sulfate 441.2
    ethyl butyrate 702.24
    methyl lactate 322.87
    butyl lactate 536.74
    diethyl carbonate 402.8
    propanediol butyl ether 632.71
    triethyl orthoformate 431.61
    p-tert-butyltoluene 165.03
    methyl 4-tert-butylbenzoate 468.7
    morpholine 2559.53
    tert-butylamine 852.89
    n-dodecanol 125.94
    dimethoxymethane 981.35
    ethylene carbonate 795.52
    cyrene 489.79
    2-ethoxyethyl acetate 971.76
    2-ethylhexyl acetate 736.71
    1,2,4-trichlorobenzene 874.74
    4-methylpyridine 1664.51
    dibutyl ether 614.66
    2,6-dimethyl-4-heptanol 229.39
    DEF 1416.7
    dimethyl isosorbide 823.4
    tetrachloroethylene 1713.88
    eugenol 464.12
    triacetin 765.2
    span 80 537.2
    1,4-butanediol 326.0
    1,1-dichloroethane 2107.46
    2-methyl-1-pentanol 722.62
    methyl formate 565.0
    2-methyl-1-butanol 829.11
    n-decane 47.17
    butyronitrile 1215.52
    3,7-dimethyl-1-octanol 318.58
    1-chlorooctane 248.66
    1-chlorotetradecane 80.63
    n-nonane 48.34
    undecane 30.69
    tert-butylcyclohexane 82.73
    cyclooctane 62.56
    cyclopentanol 1125.85
    tetrahydropyran 2780.18
    tert-amyl methyl ether 791.54
    2,5,8-trioxanonane 962.15
    1-hexene 710.36
    2-isopropoxyethanol 812.76
    2,2,2-trifluoroethanol 302.79
    methyl butyrate 1306.8

    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