3-Sulfanylpentan-1-ol

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  • Identifiers

    CAS number
    548740-99-4

    Molecular formula
    C5H12OS

    SMILES
    CCC(CCO)S

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 81.44%
    Fruity 68.7%
    Meaty 63.9%
    Onion 57.04%
    Tropical 54.46%
    Grapefruit 52.84%
    Savory 51.09%
    Roasted 50.79%
    Black currant 47.07%
    Alliaceous 43.15%

     

    Flavor
    Sulfurous 65.35%
    Onion 47.69%
    Meaty 37.74%
    Vegetable 33.53%
    Sulfury 32.85%
    Fishy 29.84%
    Roasted 28.64%
    Sweet 27.98%
    Soup 24.33%
    Burnt 24.17%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    9.36 (weak base)

    Molecular weight
    120.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    200°C

    Flash point

    • 72.87 ˚C est.

  • Synonyms

    • 3-sulfanylpentan-1-ol
    • 3-mercaptopentanol
    • 1-Pentanol, 3-mercapto-
    • 3-Mercapto-1-pentanol
    • Fema No. 4792
    • L831V8O4WO
    • UNII-L831V8O4WO
    • CHEBI:156144
    • DTXSID30333070
    • RefChem:95434
    • 3-Sulphanyl-1-pentanol
    • DTXCID60284162
    • 877-750-8
    • PRJACVDGNSZBLE-UHFFFAOYSA-N
    • 3-mercaptopentan-1-ol
    • 548740-99-4
    • MFCD29991181
    • 3-Mercaptopentan-1-ol (>90%)
    • 3-sulfanyl-1-pentanol
    • 3-Ethyl mercapto propanol
    • SCHEMBL333125
    • SCHEMBL11177217
    • SCHEMBL16859723
    • YWA74099
    • D84734
    • EN300-7585294
    • 548740-99-4

  • Applications

    3-Sulfanylpentan-1-ol, CAS 548740-99-4, is primarily used as an intermediate in the synthesis of sulfur-containing fragrance ingredients and their derivatives for perfumery and cosmetics; it serves as a reactive thiol building block for thiol-ene reactions in polymer systems and coatings; it may function as a precursor for fragrance formulations in household and consumer products; it holds potential in polymers/plastics and ink formulations where sulfur functionality enables crosslinking or surface modification; and it is considered for applications in coatings/inks subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 545.2
    methanol 676.04
    isopropanol 434.18
    water 12.41
    ethyl acetate 115.83
    n-propanol 388.45
    acetone 260.39
    n-butanol 324.76
    acetonitrile 131.24
    DMF 397.97
    toluene 28.2
    isobutanol 244.1
    1,4-dioxane 388.92
    methyl acetate 143.59
    THF 558.0
    2-butanone 162.95
    n-pentanol 171.96
    sec-butanol 251.52
    n-hexane 7.87
    ethylene glycol 277.66
    NMP 296.67
    cyclohexane 14.43
    DMSO 630.14
    n-butyl acetate 127.51
    n-octanol 97.28
    chloroform 200.51
    n-propyl acetate 83.02
    acetic acid 403.44
    dichloromethane 116.99
    cyclohexanone 268.17
    propylene glycol 280.11
    isopropyl acetate 67.8
    DMAc 192.69
    2-ethoxyethanol 261.46
    isopentanol 203.96
    n-heptane 15.85
    ethyl formate 108.72
    1,2-dichloroethane 86.68
    n-hexanol 275.14
    2-methoxyethanol 521.43
    isobutyl acetate 61.64
    tetrachloromethane 58.54
    n-pentyl acetate 80.49
    transcutol 494.17
    n-heptanol 120.27
    ethylbenzene 18.34
    MIBK 82.06
    2-propoxyethanol 390.91
    tert-butanol 401.83
    MTBE 131.31
    2-butoxyethanol 198.68
    propionic acid 266.73
    o-xylene 30.36
    formic acid 231.89
    diethyl ether 101.52
    m-xylene 32.12
    p-xylene 25.69
    chlorobenzene 61.11
    dimethyl carbonate 36.57
    n-octane 6.53
    formamide 191.79
    cyclopentanone 340.07
    2-pentanone 130.24
    anisole 66.71
    cyclopentyl methyl ether 161.4
    gamma-butyrolactone 336.56
    1-methoxy-2-propanol 334.04
    pyridine 168.19
    3-pentanone 70.5
    furfural 281.95
    n-dodecane 6.05
    diethylene glycol 398.63
    diisopropyl ether 30.72
    tert-amyl alcohol 229.5
    acetylacetone 143.33
    n-hexadecane 6.59
    acetophenone 73.01
    methyl propionate 90.57
    isopentyl acetate 103.37
    trichloroethylene 191.17
    n-nonanol 82.09
    cyclohexanol 209.4
    benzyl alcohol 89.74
    2-ethylhexanol 115.36
    isooctanol 90.27
    dipropyl ether 87.95
    1,2-dichlorobenzene 58.13
    ethyl lactate 70.42
    propylene carbonate 148.26
    n-methylformamide 239.31
    2-pentanol 159.99
    n-pentane 9.82
    1-propoxy-2-propanol 270.6
    1-methoxy-2-propyl acetate 126.82
    2-(2-methoxypropoxy) propanol 155.81
    mesitylene 25.04
    ε-caprolactone 193.71
    p-cymene 30.84
    epichlorohydrin 246.56
    1,1,1-trichloroethane 106.43
    2-aminoethanol 393.67
    morpholine-4-carbaldehyde 322.58
    sulfolane 423.46
    2,2,4-trimethylpentane 8.23
    2-methyltetrahydrofuran 306.73
    n-hexyl acetate 111.75
    isooctane 8.06
    2-(2-butoxyethoxy)ethanol 224.16
    sec-butyl acetate 50.94
    tert-butyl acetate 87.3
    decalin 8.29
    glycerin 370.29
    diglyme 332.53
    acrylic acid 232.48
    isopropyl myristate 46.99
    n-butyric acid 276.91
    acetyl acetate 71.24
    di(2-ethylhexyl) phthalate 56.45
    ethyl propionate 54.33
    nitromethane 329.75
    1,2-diethoxyethane 128.09
    benzonitrile 97.97
    trioctyl phosphate 49.27
    1-bromopropane 51.37
    gamma-valerolactone 383.21
    n-decanol 61.72
    triethyl phosphate 43.42
    4-methyl-2-pentanol 85.75
    propionitrile 123.83
    vinylene carbonate 133.01
    1,1,2-trichlorotrifluoroethane 257.63
    DMS 72.02
    cumene 20.67
    2-octanol 72.43
    2-hexanone 100.65
    octyl acetate 63.7
    limonene 50.27
    1,2-dimethoxyethane 273.62
    ethyl orthosilicate 43.47
    tributyl phosphate 51.36
    diacetone alcohol 174.99
    N,N-dimethylaniline 49.93
    acrylonitrile 153.42
    aniline 90.01
    1,3-propanediol 428.61
    bromobenzene 44.64
    dibromomethane 83.48
    1,1,2,2-tetrachloroethane 173.36
    2-methyl-cyclohexyl acetate 76.59
    tetrabutyl urea 67.81
    diisobutyl methanol 65.18
    2-phenylethanol 121.62
    styrene 22.55
    dioctyl adipate 67.14
    dimethyl sulfate 82.19
    ethyl butyrate 74.6
    methyl lactate 102.73
    butyl lactate 93.29
    diethyl carbonate 46.98
    propanediol butyl ether 195.78
    triethyl orthoformate 61.95
    p-tert-butyltoluene 33.88
    methyl 4-tert-butylbenzoate 93.83
    morpholine 421.17
    tert-butylamine 185.53
    n-dodecanol 48.31
    dimethoxymethane 166.97
    ethylene carbonate 109.01
    cyrene 136.04
    2-ethoxyethyl acetate 99.78
    2-ethylhexyl acetate 75.04
    1,2,4-trichlorobenzene 81.2
    4-methylpyridine 129.85
    dibutyl ether 56.3
    2,6-dimethyl-4-heptanol 65.18
    DEF 128.35
    dimethyl isosorbide 210.4
    tetrachloroethylene 146.15
    eugenol 115.35
    triacetin 96.25
    span 80 162.48
    1,4-butanediol 175.46
    1,1-dichloroethane 101.16
    2-methyl-1-pentanol 118.4
    methyl formate 148.1
    2-methyl-1-butanol 177.37
    n-decane 9.43
    butyronitrile 137.29
    3,7-dimethyl-1-octanol 85.33
    1-chlorooctane 38.0
    1-chlorotetradecane 16.47
    n-nonane 8.61
    undecane 7.35
    tert-butylcyclohexane 10.15
    cyclooctane 5.31
    cyclopentanol 296.59
    tetrahydropyran 286.67
    tert-amyl methyl ether 79.45
    2,5,8-trioxanonane 248.71
    1-hexene 31.55
    2-isopropoxyethanol 172.94
    2,2,2-trifluoroethanol 138.26
    methyl butyrate 85.27

    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