Pentadecane-1-thiol

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  • Identifiers

    CAS number
    25276-70-4

    Molecular formula
    C15H32S

    SMILES
    CCCCCCCCCCCCCCCS

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 76.78%
    Fatty 72.37%
    Meaty 71.09%
    Waxy 49.97%
    Savory 48.6%
    Roasted 40.81%
    Burnt 33.85%
    Vegetable 33.56%
    Mushroom 32.19%
    Oily 31.64%

     

    Flavor
    Waxy 41.6%
    Alkane 37.87%
    Fatty 32.4%
    Mild 26.16%
    Fat 24.9%
    Bland 24.72%
    Slightly waxy 24.16%
    Incense 23.28%
    Delicate 23.25%
    Citrus peel 23.14%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    7.7

    pKa est.
    8.63 (weak base)

    Molecular weight
    244.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    325°C

    Flash point

    • 131.92 ˚C est.

  • Synonyms

    • 25276-70-4
    • Pentadecane-1-thiol
    • EINECS 246-785-5
    • DTXSID00179922
    • 1Pentadecanethiol
    • RefChem:859720
    • DTXCID60102413
    • 246-785-5
    • 1-Pentadecanethiol
    • n-Pentadecyl Mercaptan
    • Pentadecyl Mercaptan
    • N-PENTADECYLMERCAPTAN
    • MFCD00059147
    • C15H32S
    • 1-Pentadecanethiol, >=97%
    • SCHEMBL133112
    • SCHEMBL133113
    • SCHEMBL2797282
    • SCHEMBL20473157
    • AKOS028108541
    • FP62975
    • SY053832
    • NS00049591
    • P0836
    • T72169
    • 25276-70-4

  • Applications

    Pentadecane-1-thiol (CAS 25276-70-4) is a long-chain alkanethiol used primarily as an intermediate in organic synthesis and as a building block for sulfur-containing functionalities. In industrial manufacturing, it can participate in thiol-ene chemistry to form crosslinked networks in polymers, coatings, and adhesives, or serve as a surface-modifying agent to tailor film properties. In fragrance and cosmetics, long-chain thiols can act as fragrance ingredients or fixatives to contribute sulfur-containing notes. It may also be evaluated as a specialty precursor for the synthesis of thioethers and thioesters in research and development settings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 70.04
    methanol 29.79
    isopropanol 123.58
    water 0.0
    ethyl acetate 697.37
    n-propanol 128.67
    acetone 485.4
    n-butanol 215.72
    acetonitrile 89.88
    DMF 303.38
    toluene 550.45
    isobutanol 158.87
    1,4-dioxane 1016.9
    methyl acetate 347.52
    THF 2584.58
    2-butanone 623.02
    n-pentanol 181.52
    sec-butanol 212.62
    n-hexane 615.47
    ethylene glycol 4.02
    NMP 717.96
    cyclohexane 1999.03
    DMSO 483.47
    n-butyl acetate 1588.21
    n-octanol 237.46
    chloroform 1424.12
    n-propyl acetate 789.24
    acetic acid 85.26
    dichloromethane 1242.97
    cyclohexanone 1814.39
    propylene glycol 15.19
    isopropyl acetate 710.16
    DMAc 451.63
    2-ethoxyethanol 188.13
    isopentanol 309.47
    n-heptane 1506.53
    ethyl formate 181.07
    1,2-dichloroethane 1064.33
    n-hexanol 396.84
    2-methoxyethanol 192.3
    isobutyl acetate 639.75
    tetrachloromethane 486.89
    n-pentyl acetate 930.69
    transcutol 1254.68
    n-heptanol 245.22
    ethylbenzene 370.59
    MIBK 702.12
    2-propoxyethanol 398.8
    tert-butanol 380.65
    MTBE 949.07
    2-butoxyethanol 340.96
    propionic acid 120.11
    o-xylene 428.24
    formic acid 5.2
    diethyl ether 1048.28
    m-xylene 390.15
    p-xylene 519.83
    chlorobenzene 544.48
    dimethyl carbonate 107.01
    n-octane 315.25
    formamide 12.55
    cyclopentanone 1501.48
    2-pentanone 837.02
    anisole 499.86
    cyclopentyl methyl ether 1804.37
    gamma-butyrolactone 1005.79
    1-methoxy-2-propanol 260.44
    pyridine 796.7
    3-pentanone 725.04
    furfural 575.94
    n-dodecane 99.02
    diethylene glycol 98.05
    diisopropyl ether 660.25
    tert-amyl alcohol 388.46
    acetylacetone 694.59
    n-hexadecane 126.18
    acetophenone 518.85
    methyl propionate 379.63
    isopentyl acetate 1295.58
    trichloroethylene 1518.46
    n-nonanol 256.33
    cyclohexanol 608.94
    benzyl alcohol 200.17
    2-ethylhexanol 618.57
    isooctanol 286.29
    dipropyl ether 2605.1
    1,2-dichlorobenzene 571.93
    ethyl lactate 165.89
    propylene carbonate 591.13
    n-methylformamide 61.73
    2-pentanol 290.6
    n-pentane 406.27
    1-propoxy-2-propanol 677.82
    1-methoxy-2-propyl acetate 826.08
    2-(2-methoxypropoxy) propanol 321.71
    mesitylene 343.27
    ε-caprolactone 1209.11
    p-cymene 483.75
    epichlorohydrin 1156.95
    1,1,1-trichloroethane 1498.82
    2-aminoethanol 19.4
    morpholine-4-carbaldehyde 583.34
    sulfolane 1399.72
    2,2,4-trimethylpentane 184.87
    2-methyltetrahydrofuran 2064.31
    n-hexyl acetate 863.99
    isooctane 160.99
    2-(2-butoxyethoxy)ethanol 446.61
    sec-butyl acetate 719.14
    tert-butyl acetate 1002.15
    decalin 445.5
    glycerin 24.17
    diglyme 1143.39
    acrylic acid 67.67
    isopropyl myristate 447.39
    n-butyric acid 360.9
    acetyl acetate 406.04
    di(2-ethylhexyl) phthalate 197.82
    ethyl propionate 665.82
    nitromethane 183.04
    1,2-diethoxyethane 1461.46
    benzonitrile 319.24
    trioctyl phosphate 188.03
    1-bromopropane 1204.92
    gamma-valerolactone 1115.7
    n-decanol 189.56
    triethyl phosphate 493.82
    4-methyl-2-pentanol 234.15
    propionitrile 189.59
    vinylene carbonate 351.19
    1,1,2-trichlorotrifluoroethane 496.47
    DMS 356.58
    cumene 288.91
    2-octanol 234.45
    2-hexanone 824.18
    octyl acetate 432.62
    limonene 1049.03
    1,2-dimethoxyethane 901.36
    ethyl orthosilicate 550.01
    tributyl phosphate 270.89
    diacetone alcohol 555.71
    N,N-dimethylaniline 392.43
    acrylonitrile 133.22
    aniline 289.73
    1,3-propanediol 58.71
    bromobenzene 775.68
    dibromomethane 1087.7
    1,1,2,2-tetrachloroethane 1645.52
    2-methyl-cyclohexyl acetate 909.04
    tetrabutyl urea 393.38
    diisobutyl methanol 574.07
    2-phenylethanol 272.66
    styrene 436.9
    dioctyl adipate 516.26
    dimethyl sulfate 210.7
    ethyl butyrate 1420.46
    methyl lactate 95.09
    butyl lactate 371.64
    diethyl carbonate 652.54
    propanediol butyl ether 184.08
    triethyl orthoformate 1085.79
    p-tert-butyltoluene 478.16
    methyl 4-tert-butylbenzoate 473.99
    morpholine 1087.24
    tert-butylamine 377.84
    n-dodecanol 157.66
    dimethoxymethane 372.75
    ethylene carbonate 410.35
    cyrene 301.58
    2-ethoxyethyl acetate 718.17
    2-ethylhexyl acetate 1259.03
    1,2,4-trichlorobenzene 636.74
    4-methylpyridine 750.03
    dibutyl ether 1448.63
    2,6-dimethyl-4-heptanol 574.07
    DEF 771.3
    dimethyl isosorbide 841.76
    tetrachloroethylene 942.14
    eugenol 287.38
    triacetin 596.15
    span 80 355.09
    1,4-butanediol 24.62
    1,1-dichloroethane 1025.08
    2-methyl-1-pentanol 258.24
    methyl formate 59.26
    2-methyl-1-butanol 256.49
    n-decane 259.72
    butyronitrile 350.57
    3,7-dimethyl-1-octanol 374.65
    1-chlorooctane 572.75
    1-chlorotetradecane 198.8
    n-nonane 304.05
    undecane 147.15
    tert-butylcyclohexane 328.06
    cyclooctane 655.3
    cyclopentanol 472.32
    tetrahydropyran 2354.44
    tert-amyl methyl ether 829.93
    2,5,8-trioxanonane 670.74
    1-hexene 809.22
    2-isopropoxyethanol 235.61
    2,2,2-trifluoroethanol 32.07
    methyl butyrate 856.4

    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