Ethylthioacetic acid

Overview IFRA Request a quote

  • Identifiers

    CAS number
    627-04-3

    Molecular formula
    C4H8O2S

    SMILES
    CCSCC(=O)O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 84.21%
    Meaty 64.35%
    Tropical 54.94%
    Roasted 51.13%
    Savory 50.71%
    Onion 50.51%
    Fruity 49.8%
    Cheesy 47.38%
    Alliaceous 41.54%
    Vegetable 40.73%

     

    Flavor
    Sulfury 46.28%
    Sulfurous 41.15%
    Cheese 38.71%
    Onion 36.12%
    Garlic 33.22%
    Cabbage 32.98%
    Cooked 29.15%
    Vegetable 28.77%
    Acidic 27.71%
    Tomato 27.69%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    6.75 (neutral)

    Molecular weight
    120.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    260°C

    Flash point

    • 96.3 ˚C est.

  • Synonyms

    • (Ethylthio)acetic acid
    • Acetic acid, (ethylthio)-
    • Ethylthioacetic acid
    • 2-(Ethylthio)acetic acid
    • Carboxymethyl ethyl sulfide
    • (Ethylmercapto)acetic acid
    • S-(Carboxymethyl)ethyl mercaptan
    • Acetic acid, 2-(ethylthio)-
    • UNII-M3D5Y724HZ
    • M3D5Y724HZ
    • EINECS 210-979-8
    • NSC 75118
    • NSC-75118
    • ETHYLSULFANYLACETIC ACID
    • .alpha.-(Ethylthio)acetic acid
    • DTXSID3060829
    • 2-(ETHYLTHIO)ETHANOIC ACID
    • RefChem:139207
    • alpha-(Ethylthio)acetic acid
    • DTXCID9043487
    • VJIKFWJCVWFZIN-UHFFFAOYSA-N
    • 627-04-3
    • (ETHYLTHIO)ACETICACID
    • 2-ethylsulfanylacetic acid
    • 2-(ethylsulfanyl)acetic acid
    • MFCD00021769
    • ethylmercaptoacetic acid
    • (Ethylsulfanyl)acetic acid
    • 3-Thiapentanoic acid
    • 2-ethylthioacetic acid
    • (Ethylsulfanyl)acetic acid #
    • SCHEMBL623697
    • SCHEMBL4111557
    • SCHEMBL4118348
    • SCHEMBL4118350
    • SCHEMBL4448889
    • ALBB-004310
    • NSC75118
    • STR04669
    • SBB047288
    • STK502173
    • AKOS000137291
    • SY078874
    • CS-0197336
    • NS00035136
    • EN300-97332
    • D95699
    • F001760
    • Q27283434
    • 627-04-3

  • Applications

    Ethylthioacetic acid, CAS 627-04-3, is a small thioether-containing building block used primarily as an intermediate in organic synthesis to introduce sulfur functionality into molecules and to furnish sulfur-containing derivatives. In practice its applications span four areas: pharmaceutical and agrochemical research (as a precursor for the synthesis of sulfur-containing compounds), polymers and plastics (as a building block or additive to introduce thioether groups into polymer frameworks), coatings and inks (as a reagent to introduce thioether functionality into coatings, resins, and related systems), and general industrial manufacturing (as an intermediate for routes that generate sulfur-containing compounds).

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 312.43
    methanol 486.01
    isopropanol 226.9
    water 78.91
    ethyl acetate 70.77
    n-propanol 204.6
    acetone 235.48
    n-butanol 158.32
    acetonitrile 76.9
    DMF 762.68
    toluene 22.24
    isobutanol 129.63
    1,4-dioxane 194.11
    methyl acetate 83.79
    THF 430.23
    2-butanone 112.51
    n-pentanol 125.09
    sec-butanol 146.13
    n-hexane 8.78
    ethylene glycol 294.32
    NMP 377.3
    cyclohexane 7.0
    DMSO 641.3
    n-butyl acetate 61.73
    n-octanol 83.4
    chloroform 51.5
    n-propyl acetate 52.72
    acetic acid 205.61
    dichloromethane 41.91
    cyclohexanone 163.72
    propylene glycol 267.08
    isopropyl acetate 51.44
    DMAc 322.99
    2-ethoxyethanol 228.07
    isopentanol 108.82
    n-heptane 8.94
    ethyl formate 87.17
    1,2-dichloroethane 46.44
    n-hexanol 160.82
    2-methoxyethanol 428.86
    isobutyl acetate 35.55
    tetrachloromethane 16.43
    n-pentyl acetate 53.96
    transcutol 274.26
    n-heptanol 82.89
    ethylbenzene 19.98
    MIBK 74.55
    2-propoxyethanol 295.98
    tert-butanol 206.96
    MTBE 62.84
    2-butoxyethanol 149.32
    propionic acid 173.12
    o-xylene 26.24
    formic acid 207.21
    diethyl ether 51.37
    m-xylene 31.12
    p-xylene 23.43
    chlorobenzene 33.18
    dimethyl carbonate 50.91
    n-octane 4.86
    formamide 182.85
    cyclopentanone 272.09
    2-pentanone 112.17
    anisole 63.75
    cyclopentyl methyl ether 121.38
    gamma-butyrolactone 266.67
    1-methoxy-2-propanol 317.11
    pyridine 91.76
    3-pentanone 62.97
    furfural 239.63
    n-dodecane 5.09
    diethylene glycol 329.44
    diisopropyl ether 19.95
    tert-amyl alcohol 131.41
    acetylacetone 145.77
    n-hexadecane 5.58
    acetophenone 69.85
    methyl propionate 85.94
    isopentyl acetate 55.55
    trichloroethylene 82.24
    n-nonanol 71.09
    cyclohexanol 115.89
    benzyl alcohol 81.77
    2-ethylhexanol 68.7
    isooctanol 58.88
    dipropyl ether 47.02
    1,2-dichlorobenzene 38.14
    ethyl lactate 70.8
    propylene carbonate 118.35
    n-methylformamide 309.04
    2-pentanol 96.16
    n-pentane 6.63
    1-propoxy-2-propanol 177.84
    1-methoxy-2-propyl acetate 91.63
    2-(2-methoxypropoxy) propanol 129.45
    mesitylene 24.16
    ε-caprolactone 133.01
    p-cymene 21.31
    epichlorohydrin 188.89
    1,1,1-trichloroethane 40.81
    2-aminoethanol 340.34
    morpholine-4-carbaldehyde 361.83
    sulfolane 390.95
    2,2,4-trimethylpentane 4.71
    2-methyltetrahydrofuran 173.9
    n-hexyl acetate 82.53
    isooctane 5.08
    2-(2-butoxyethoxy)ethanol 171.08
    sec-butyl acetate 33.1
    tert-butyl acetate 69.67
    decalin 6.67
    glycerin 379.45
    diglyme 238.75
    acrylic acid 172.41
    isopropyl myristate 36.4
    n-butyric acid 147.14
    acetyl acetate 47.35
    di(2-ethylhexyl) phthalate 45.35
    ethyl propionate 50.68
    nitromethane 237.65
    1,2-diethoxyethane 63.11
    benzonitrile 66.58
    trioctyl phosphate 42.0
    1-bromopropane 24.09
    gamma-valerolactone 306.4
    n-decanol 54.59
    triethyl phosphate 33.34
    4-methyl-2-pentanol 59.37
    propionitrile 68.94
    vinylene carbonate 100.65
    1,1,2-trichlorotrifluoroethane 205.84
    DMS 59.52
    cumene 20.06
    2-octanol 56.05
    2-hexanone 70.45
    octyl acetate 51.86
    limonene 29.72
    1,2-dimethoxyethane 243.16
    ethyl orthosilicate 31.29
    tributyl phosphate 40.0
    diacetone alcohol 162.61
    N,N-dimethylaniline 61.24
    acrylonitrile 105.59
    aniline 61.6
    1,3-propanediol 295.08
    bromobenzene 23.95
    dibromomethane 30.14
    1,1,2,2-tetrachloroethane 84.37
    2-methyl-cyclohexyl acetate 48.59
    tetrabutyl urea 65.81
    diisobutyl methanol 39.97
    2-phenylethanol 93.68
    styrene 21.18
    dioctyl adipate 53.35
    dimethyl sulfate 117.05
    ethyl butyrate 46.09
    methyl lactate 127.75
    butyl lactate 72.46
    diethyl carbonate 30.26
    propanediol butyl ether 165.39
    triethyl orthoformate 36.45
    p-tert-butyltoluene 22.68
    methyl 4-tert-butylbenzoate 93.02
    morpholine 239.56
    tert-butylamine 94.22
    n-dodecanol 41.37
    dimethoxymethane 225.66
    ethylene carbonate 78.89
    cyrene 128.77
    2-ethoxyethyl acetate 63.31
    2-ethylhexyl acetate 40.03
    1,2,4-trichlorobenzene 46.65
    4-methylpyridine 95.49
    dibutyl ether 37.92
    2,6-dimethyl-4-heptanol 39.97
    DEF 135.11
    dimethyl isosorbide 173.02
    tetrachloroethylene 63.68
    eugenol 117.66
    triacetin 71.75
    span 80 126.19
    1,4-butanediol 149.27
    1,1-dichloroethane 41.99
    2-methyl-1-pentanol 80.6
    methyl formate 203.45
    2-methyl-1-butanol 95.93
    n-decane 7.8
    butyronitrile 73.46
    3,7-dimethyl-1-octanol 62.12
    1-chlorooctane 29.22
    1-chlorotetradecane 13.55
    n-nonane 7.26
    undecane 6.14
    tert-butylcyclohexane 7.84
    cyclooctane 3.88
    cyclopentanol 202.48
    tetrahydropyran 125.24
    tert-amyl methyl ether 53.13
    2,5,8-trioxanonane 198.09
    1-hexene 27.95
    2-isopropoxyethanol 136.31
    2,2,2-trifluoroethanol 101.46
    methyl butyrate 73.54

    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