Tetradecyl mercaptoacetate

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  • Identifiers

    CAS number
    57414-16-1

    Molecular formula
    C16H32O2S

    SMILES
    CCCCCCCCCCCCCCOC(=O)CS

    Safety labels

  • Odor profile

    Fragrance
    Fatty 61.76%
    Waxy 52.44%
    Oily 39.72%
    Meaty 33.19%
    Citrus 31.62%
    Fruity 31.47%
    Sweet 28.87%
    Savory 28.85%
    Creamy 25.87%
    Fresh 25.81%

     

    Flavor
    Waxy 55.95%
    Fatty 49.89%
    Oily 42.39%
    Mild 38.44%
    Soapy 34.4%
    Fat 32.1%
    Coconut 30.97%
    Bland 29.88%
    Creamy 29.77%
    Faint 29.07%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    7.0

    pKa est.
    7.5 (neutral)

    Molecular weight
    288.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    362°C

    Flash point

    • 150.31 ˚C est.

  • Synonyms

    • Tetradecyl mercaptoacetate
    • 57414-16-1
    • Myristyl thioglycolate
    • tetradecyl sulfanylacetate
    • RD8ECR3X6Z
    • EINECS 260-726-0
    • UNII-RD8ECR3X6Z
    • SCHEMBL9833631
    • DTXSID60206001
    • LXDHBOICPCPCKD-UHFFFAOYSA-N
    • Acetic acid, mercapto-, tetradecyl ester
    • NS00033717
    • ACETIC ACID, 2-MERCAPTO-, TETRADECYL ESTER
    • 57414-16-1

  • Applications

    Tetradecyl mercaptoacetate (CAS 57414-16-1) is the alkyl thioglycolate ester derived from tetradecyl alcohol; in practice it is primarily used as an intermediate in organic synthesis to prepare thioester and thioether derivatives for industrial and pharmaceutical applications; it may function as a radical scavenger and processing stabilizer in polymers and coatings to improve durability and oxidative resistance; it can be used as a processing additive in paints, coatings, and inks to influence curing behavior and surface adhesion; in fragrance applications it may serve as an odorant component or fixative due to the thiol group and long alkyl tail; and it can act as a building block for specialty polymers or sulfur-containing materials used in lubricants, adhesives, or other advanced formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 59.93
    methanol 56.78
    isopropanol 84.72
    water 0.01
    ethyl acetate 320.59
    n-propanol 74.96
    acetone 294.8
    n-butanol 86.35
    acetonitrile 91.75
    DMF 424.33
    toluene 142.57
    isobutanol 80.74
    1,4-dioxane 355.36
    methyl acetate 217.87
    THF 942.32
    2-butanone 347.88
    n-pentanol 90.83
    sec-butanol 94.77
    n-hexane 39.29
    ethylene glycol 4.99
    NMP 808.16
    cyclohexane 150.04
    DMSO 560.53
    n-butyl acetate 416.4
    n-octanol 93.45
    chloroform 876.83
    n-propyl acetate 457.72
    acetic acid 111.85
    dichloromethane 896.85
    cyclohexanone 1035.37
    propylene glycol 16.85
    isopropyl acetate 296.17
    DMAc 569.76
    2-ethoxyethanol 185.56
    isopentanol 118.75
    n-heptane 37.73
    ethyl formate 136.62
    1,2-dichloroethane 678.48
    n-hexanol 90.6
    2-methoxyethanol 174.41
    isobutyl acetate 288.46
    tetrachloromethane 167.23
    n-pentyl acetate 485.65
    transcutol 946.63
    n-heptanol 76.32
    ethylbenzene 115.96
    MIBK 294.31
    2-propoxyethanol 197.09
    tert-butanol 165.75
    MTBE 285.4
    2-butoxyethanol 204.5
    propionic acid 105.22
    o-xylene 130.62
    formic acid 16.98
    diethyl ether 206.98
    m-xylene 117.74
    p-xylene 173.51
    chlorobenzene 276.28
    dimethyl carbonate 63.04
    n-octane 17.88
    formamide 39.87
    cyclopentanone 971.43
    2-pentanone 366.3
    anisole 246.7
    cyclopentyl methyl ether 488.83
    gamma-butyrolactone 785.13
    1-methoxy-2-propanol 193.56
    pyridine 441.68
    3-pentanone 289.5
    furfural 564.5
    n-dodecane 10.7
    diethylene glycol 77.59
    diisopropyl ether 106.33
    tert-amyl alcohol 175.3
    acetylacetone 457.3
    n-hexadecane 13.53
    acetophenone 336.7
    methyl propionate 211.98
    isopentyl acetate 368.8
    trichloroethylene 1156.75
    n-nonanol 92.94
    cyclohexanol 225.65
    benzyl alcohol 154.97
    2-ethylhexanol 109.03
    isooctanol 86.42
    dipropyl ether 250.94
    1,2-dichlorobenzene 337.83
    ethyl lactate 128.11
    propylene carbonate 418.58
    n-methylformamide 107.93
    2-pentanol 88.1
    n-pentane 21.71
    1-propoxy-2-propanol 223.68
    1-methoxy-2-propyl acetate 320.8
    2-(2-methoxypropoxy) propanol 210.6
    mesitylene 96.14
    ε-caprolactone 756.95
    p-cymene 92.21
    epichlorohydrin 841.87
    1,1,1-trichloroethane 682.59
    2-aminoethanol 22.38
    morpholine-4-carbaldehyde 575.45
    sulfolane 1202.5
    2,2,4-trimethylpentane 21.01
    2-methyltetrahydrofuran 654.88
    n-hexyl acetate 448.39
    isooctane 13.93
    2-(2-butoxyethoxy)ethanol 286.93
    sec-butyl acetate 314.68
    tert-butyl acetate 388.55
    decalin 57.18
    glycerin 31.71
    diglyme 662.84
    acrylic acid 76.31
    isopropyl myristate 145.47
    n-butyric acid 241.33
    acetyl acetate 216.12
    di(2-ethylhexyl) phthalate 109.39
    ethyl propionate 314.68
    nitromethane 292.28
    1,2-diethoxyethane 440.69
    benzonitrile 235.14
    trioctyl phosphate 82.15
    1-bromopropane 359.68
    gamma-valerolactone 1033.94
    n-decanol 61.38
    triethyl phosphate 166.6
    4-methyl-2-pentanol 70.48
    propionitrile 115.92
    vinylene carbonate 304.1
    1,1,2-trichlorotrifluoroethane 504.97
    DMS 234.77
    cumene 85.94
    2-octanol 80.65
    2-hexanone 402.44
    octyl acetate 173.31
    limonene 172.59
    1,2-dimethoxyethane 545.8
    ethyl orthosilicate 161.67
    tributyl phosphate 115.92
    diacetone alcohol 316.83
    N,N-dimethylaniline 176.26
    acrylonitrile 126.85
    aniline 138.77
    1,3-propanediol 52.43
    bromobenzene 344.05
    dibromomethane 585.24
    1,1,2,2-tetrachloroethane 1090.95
    2-methyl-cyclohexyl acetate 305.09
    tetrabutyl urea 180.36
    diisobutyl methanol 84.91
    2-phenylethanol 142.74
    styrene 154.1
    dioctyl adipate 241.06
    dimethyl sulfate 169.88
    ethyl butyrate 351.92
    methyl lactate 83.66
    butyl lactate 244.9
    diethyl carbonate 188.95
    propanediol butyl ether 170.42
    triethyl orthoformate 257.58
    p-tert-butyltoluene 84.56
    methyl 4-tert-butylbenzoate 276.39
    morpholine 500.89
    tert-butylamine 113.42
    n-dodecanol 44.94
    dimethoxymethane 216.08
    ethylene carbonate 276.66
    cyrene 246.87
    2-ethoxyethyl acetate 483.73
    2-ethylhexyl acetate 324.41
    1,2,4-trichlorobenzene 415.69
    4-methylpyridine 432.35
    dibutyl ether 288.82
    2,6-dimethyl-4-heptanol 84.91
    DEF 450.87
    dimethyl isosorbide 479.85
    tetrachloroethylene 635.72
    eugenol 217.73
    triacetin 426.49
    span 80 217.23
    1,4-butanediol 27.45
    1,1-dichloroethane 543.18
    2-methyl-1-pentanol 117.17
    methyl formate 78.08
    2-methyl-1-butanol 102.53
    n-decane 24.62
    butyronitrile 162.85
    3,7-dimethyl-1-octanol 106.7
    1-chlorooctane 132.83
    1-chlorotetradecane 41.09
    n-nonane 24.43
    undecane 15.09
    tert-butylcyclohexane 39.6
    cyclooctane 34.45
    cyclopentanol 226.85
    tetrahydropyran 599.06
    tert-amyl methyl ether 240.03
    2,5,8-trioxanonane 395.46
    1-hexene 118.54
    2-isopropoxyethanol 178.21
    2,2,2-trifluoroethanol 48.46
    methyl butyrate 488.7

    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