2-Ethylhexanethiol

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  • Identifiers

    CAS number
    7341-17-5

    Molecular formula
    C8H18S

    SMILES
    CCCCC(CC)CS

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Sulfurous 88.88%
    Meaty 77.26%
    Roasted 62.09%
    Savory 59.37%
    Vegetable 59.37%
    Fatty 51.92%
    Onion 49.86%
    Tropical 49.38%
    Alliaceous 46.98%
    Garlic 40.4%

     

    Flavor
    Sulfurous 37.5%
    Meaty 30.63%
    Sulfury 26.51%
    Onion 25.93%
    Fishy 25.67%
    Skunky 25.65%
    Glue 24.72%
    Burnt 24.69%
    Bloody 24.6%
    Violet-leaf 23.91%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    8.58 (weak base)

    Molecular weight
    146.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Melting point expt.

    • -40.00 to -39.00 °C. @ 760.00 mm Hg

    Boiling point

    • 178.00 to 182.00 °C. @ 760.00 mm Hg

    Flash point

    • 54.54 ˚C est.

    Solubility expt.

    • soluble in oil and alcohol

  • Synonyms

    • 2-Ethylhexanethiol
    • 2-Ethyl-1-hexanethiol
    • 7341-17-5
    • 2-Ethylhexane-1-thiol
    • 1-Hexanethiol, 2-ethyl-
    • 2-Ethylhexylmercaptan
    • 2-Ethylhexyl Mercaptan
    • 9M9TA4S7BL
    • EINECS 230-854-1
    • FEMA NO. 3833
    • DTXSID80864041
    • 2-ETHYLHEXANETHIOL [FHFI]
    • (+/-)-2-ETHYLHEXANETHIOL
    • 2-ETHYLHEXANETHIOL, (+/-)-
    • UNII-9M9TA4S7BL
    • MFCD00039654
    • 2-(Mercaptomethyl)heptane
    • 2-Ethylhexanethiol, 97%
    • SCHEMBL186018
    • FEMA 3833
    • DTXCID50812594
    • CHEBI:167084
    • AKOS024257631
    • FE34548
    • BS-42245
    • Ethyl-1-hexanethiol;2-Ethylhexylmercaptan
    • DB-055760
    • E1031
    • NS00043726
    • D90586
    • EN300-7083056
    • Q27272737
    • 230-854-1

  • Applications

    2-Ethylhexanethiol (CAS 7341-17-5) is used primarily as an odorant in fragrance applications and cosmetics/personal care, and is regarded as a synthetic intermediate for sulfur-containing compounds such as thioethers and disulfides; in industrial manufacturing, it can act as a chain transfer agent in polymerization to control molecular weight and material properties; it is also evaluated as an odorant additive in household cleaning products and in coatings/inks, and can serve as a precursor for the synthesis of alkylthio-bearing compounds in material formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1067.76
    methanol 459.97
    isopropanol 1211.43
    water 0.03
    ethyl acetate 980.57
    n-propanol 1102.92
    acetone 1505.94
    n-butanol 1435.78
    acetonitrile 702.21
    DMF 622.44
    toluene 801.01
    isobutanol 908.55
    1,4-dioxane 2245.29
    methyl acetate 689.52
    THF 4662.87
    2-butanone 1320.59
    n-pentanol 876.24
    sec-butanol 1117.58
    n-hexane 824.0
    ethylene glycol 55.85
    NMP 582.6
    cyclohexane 1680.92
    DMSO 1145.37
    n-butyl acetate 2602.81
    n-octanol 586.17
    chloroform 2403.15
    n-propyl acetate 902.57
    acetic acid 379.8
    dichloromethane 2143.76
    cyclohexanone 2228.04
    propylene glycol 131.9
    isopropyl acetate 661.71
    DMAc 375.72
    2-ethoxyethanol 528.24
    isopentanol 1091.99
    n-heptane 1756.58
    ethyl formate 508.88
    1,2-dichloroethane 1465.24
    n-hexanol 2041.65
    2-methoxyethanol 779.64
    isobutyl acetate 574.9
    tetrachloromethane 650.87
    n-pentyl acetate 809.86
    transcutol 1680.8
    n-heptanol 695.62
    ethylbenzene 383.18
    MIBK 699.57
    2-propoxyethanol 1279.8
    tert-butanol 1521.67
    MTBE 1623.6
    2-butoxyethanol 642.41
    propionic acid 394.21
    o-xylene 374.77
    formic acid 33.9
    diethyl ether 2117.58
    m-xylene 433.92
    p-xylene 476.66
    chlorobenzene 790.4
    dimethyl carbonate 110.71
    n-octane 330.36
    formamide 64.64
    cyclopentanone 1867.28
    2-pentanone 1348.68
    anisole 470.43
    cyclopentyl methyl ether 1674.79
    gamma-butyrolactone 1210.11
    1-methoxy-2-propanol 706.36
    pyridine 1664.36
    3-pentanone 748.03
    furfural 754.18
    n-dodecane 136.37
    diethylene glycol 403.39
    diisopropyl ether 608.11
    tert-amyl alcohol 1029.68
    acetylacetone 746.09
    n-hexadecane 160.05
    acetophenone 367.09
    methyl propionate 491.15
    isopentyl acetate 1699.78
    trichloroethylene 1789.96
    n-nonanol 485.28
    cyclohexanol 1323.4
    benzyl alcohol 338.31
    2-ethylhexanol 1410.05
    isooctanol 536.27
    dipropyl ether 2696.19
    1,2-dichlorobenzene 547.19
    ethyl lactate 171.86
    propylene carbonate 693.02
    n-methylformamide 242.42
    2-pentanol 982.68
    n-pentane 806.75
    1-propoxy-2-propanol 1378.02
    1-methoxy-2-propyl acetate 840.82
    2-(2-methoxypropoxy) propanol 384.4
    mesitylene 294.54
    ε-caprolactone 1375.77
    p-cymene 474.4
    epichlorohydrin 1558.55
    1,1,1-trichloroethane 1558.65
    2-aminoethanol 172.21
    morpholine-4-carbaldehyde 679.42
    sulfolane 1129.67
    2,2,4-trimethylpentane 199.8
    2-methyltetrahydrofuran 3354.9
    n-hexyl acetate 839.36
    isooctane 198.12
    2-(2-butoxyethoxy)ethanol 620.21
    sec-butyl acetate 507.84
    tert-butyl acetate 692.2
    decalin 290.12
    glycerin 133.09
    diglyme 1246.57
    acrylic acid 207.75
    isopropyl myristate 373.14
    n-butyric acid 1008.99
    acetyl acetate 407.66
    di(2-ethylhexyl) phthalate 226.73
    ethyl propionate 518.32
    nitromethane 495.39
    1,2-diethoxyethane 1615.59
    benzonitrile 634.86
    trioctyl phosphate 226.64
    1-bromopropane 2083.38
    gamma-valerolactone 1485.66
    n-decanol 341.4
    triethyl phosphate 287.98
    4-methyl-2-pentanol 484.54
    propionitrile 842.48
    vinylene carbonate 476.29
    1,1,2-trichlorotrifluoroethane 537.96
    DMS 285.76
    cumene 225.27
    2-octanol 478.42
    2-hexanone 1112.02
    octyl acetate 406.77
    limonene 1022.47
    1,2-dimethoxyethane 1484.71
    ethyl orthosilicate 318.3
    tributyl phosphate 268.79
    diacetone alcohol 576.53
    N,N-dimethylaniline 276.78
    acrylonitrile 580.14
    aniline 580.84
    1,3-propanediol 407.8
    bromobenzene 918.89
    dibromomethane 2183.97
    1,1,2,2-tetrachloroethane 1407.15
    2-methyl-cyclohexyl acetate 637.4
    tetrabutyl urea 345.11
    diisobutyl methanol 716.32
    2-phenylethanol 556.85
    styrene 498.99
    dioctyl adipate 408.45
    dimethyl sulfate 152.03
    ethyl butyrate 1305.25
    methyl lactate 135.53
    butyl lactate 394.93
    diethyl carbonate 545.04
    propanediol butyl ether 406.37
    triethyl orthoformate 765.9
    p-tert-butyltoluene 450.29
    methyl 4-tert-butylbenzoate 331.99
    morpholine 2503.67
    tert-butylamine 1282.44
    n-dodecanol 267.46
    dimethoxymethane 643.15
    ethylene carbonate 519.52
    cyrene 286.69
    2-ethoxyethyl acetate 654.32
    2-ethylhexyl acetate 1394.01
    1,2,4-trichlorobenzene 554.44
    4-methylpyridine 1431.4
    dibutyl ether 1351.0
    2,6-dimethyl-4-heptanol 716.32
    DEF 775.52
    dimethyl isosorbide 698.18
    tetrachloroethylene 942.54
    eugenol 293.58
    triacetin 405.56
    span 80 522.65
    1,4-butanediol 144.33
    1,1-dichloroethane 1735.16
    2-methyl-1-pentanol 678.61
    methyl formate 184.41
    2-methyl-1-butanol 958.52
    n-decane 283.43
    butyronitrile 1579.74
    3,7-dimethyl-1-octanol 581.43
    1-chlorooctane 595.83
    1-chlorotetradecane 215.76
    n-nonane 348.55
    undecane 181.83
    tert-butylcyclohexane 250.34
    cyclooctane 481.39
    cyclopentanol 1202.61
    tetrahydropyran 4357.3
    tert-amyl methyl ether 899.37
    2,5,8-trioxanonane 685.43
    1-hexene 1741.24
    2-isopropoxyethanol 437.98
    2,2,2-trifluoroethanol 65.64
    methyl butyrate 821.15

    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