2-Naphthalenethiol

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  • Identifiers

    CAS number
    91-60-1

    Molecular formula
    C10H8S

    SMILES
    C1=CC=C2C=C(C=CC2=C1)S

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 87.53%
    Meaty 77.77%
    Burnt 65.05%
    Roasted 58.77%
    Phenolic 52.93%
    Woody 51.06%
    Smoky 47.24%
    Garlic 47.22%
    Coffee 42.4%
    Oily 36.91%

     

    Flavor
    Phenolic 44.66%
    Medicinal 33.62%
    Garlic 31.47%
    Plastic 30.54%
    Rubber 29.57%
    Fecal 27.19%
    Animal 26.48%
    Phenol 26.39%
    Sulfurous 26.35%
    Penetrating 25.93%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    6.65 (neutral)

    Molecular weight
    160.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 81 °C

    Boiling point

    • 286.00 to 288.00 °C. @ 760.00 mm Hg

    Flash point

    • 125.15 ˚C est.

    Solubility expt.

    • slightly
    • slightly soluble in water; soluble in alcohol and ether

  • Synonyms

    • 2-NAPHTHALENETHIOL
    • Naphthalene-2-thiol
    • 91-60-1
    • 2-Mercaptonaphthalene
    • 2-Thionaphthol
    • 2-Naphthyl mercaptan
    • Thionaphthol
    • Vulcamel TBN
    • 2-Naphthyl thiol
    • Renacit 1
    • RPA No. 2
    • RPA 2
    • beta-Naphthalenethiol
    • USAF CY-4
    • beta-Naphthyl mercaptan
    • beta-Mercaptonaphthalene
    • .beta.-Thionaphthol
    • .beta.-Mercaptonaphthalene
    • .beta.-Naphthalenethiol
    • beta-Thionaphthol
    • Thio-2-naphthol
    • FEMA No. 3314
    • .beta.-Naphthyl mercaptan
    • NSC 4749
    • EINECS 202-082-5
    • MFCD00004086
    • BRN 0636389
    • SZ5U1S741V
    • Thio-.beta.-naphthol
    • AI3-52481
    • 2-naphthyl hydrosulfide
    • NSC-4749
    • 2-NAPHTHALENETHIOL [MI]
    • DTXSID1059028
    • 4-06-00-04312 (Beilstein Handbook Reference)
    • 2-NAPHTHYL MERCAPTAN [FHFI]
    • 2-Naphthalenethiol, 99%
    • 2-naphthalenthiol
    • 2-naphtalenethiol
    • 2-naphthalene thiol
    • UNII-SZ5U1S741V
    • b-Thionaphthol
    • 2-naphthylthiol
    • 2-Thionapthol
    • 2-napthalenethiol
    • beta -thionaphthol
    • 2-MERCAPTONAPHTHALENE, PURE
    • 2-naphthylmercaptan
    • napthalene-2-thiol
    • Thio-beta -naphthol
    • 2-naphthyl-mercaptan
    • beta -naphthalenethiol
    • naphth-2-yl mercaptan
    • 2-mercapto naphthalene
    • beta -naphthyl mercaptan
    • beta -mercaptonaphthalene
    • Thio-2-naphthol (beta)
    • Thio-2-naphthol (beta )
    • WLN: L66J CSH
    • SCHEMBL76333
    • DTXCID9048720
    • FEMA 3314
    • RFCQDOVPMUSZMN-UHFFFAOYSA-
    • NSC4749
    • CHEBI:173688
    • HMS1789L04
    • STR01111
    • BBL013183
    • STL163962
    • AKOS000121519
    • CS-W016158
    • PS-8777
    • DB-021262
    • N0020
    • NS00022872
    • EN300-16580
    • D70681
    • AQ-917/40186368
    • F0020-1888
    • InChI=1/C10H8S/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H
    • 202-082-5

  • Applications

    2-Naphthalenethiol (CAS 91-60-1) is primarily used as an odorant ingredient in fragrances and cosmetics, contributing distinctive sulfur-containing notes; it also serves as a synthetic intermediate in organosulfur chemistry for industrial products such as dyes, polymers, and specialty materials; in coatings, inks and adhesives, it can function as a precursor for thiol-ene type chemistries and related functionalization; in research settings it may be used as a building block for organic synthesis toward pharmaceutical and agrochemical targets; use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 132.55
    methanol 77.34
    isopropanol 95.94
    water 0.19
    ethyl acetate 376.15
    n-propanol 117.47
    acetone 576.33
    n-butanol 112.38
    acetonitrile 253.53
    DMF 547.35
    toluene 272.97
    isobutanol 78.28
    1,4-dioxane 743.37
    methyl acetate 374.51
    THF 899.98
    2-butanone 460.4
    n-pentanol 101.68
    sec-butanol 90.41
    n-hexane 77.18
    ethylene glycol 22.28
    NMP 295.05
    cyclohexane 84.52
    DMSO 399.34
    n-butyl acetate 507.07
    n-octanol 133.0
    chloroform 597.63
    n-propyl acetate 340.0
    acetic acid 113.43
    dichloromethane 905.6
    cyclohexanone 561.76
    propylene glycol 25.64
    isopropyl acetate 208.32
    DMAc 318.6
    2-ethoxyethanol 144.56
    isopentanol 91.96
    n-heptane 170.37
    ethyl formate 259.99
    1,2-dichloroethane 632.36
    n-hexanol 203.71
    2-methoxyethanol 176.99
    isobutyl acetate 213.9
    tetrachloromethane 136.35
    n-pentyl acetate 214.65
    transcutol 464.51
    n-heptanol 116.07
    ethylbenzene 194.47
    MIBK 200.47
    2-propoxyethanol 227.98
    tert-butanol 118.1
    MTBE 201.09
    2-butoxyethanol 145.35
    propionic acid 105.11
    o-xylene 145.47
    formic acid 14.52
    diethyl ether 389.5
    m-xylene 161.87
    p-xylene 219.79
    chlorobenzene 256.01
    dimethyl carbonate 166.18
    n-octane 60.42
    formamide 55.38
    cyclopentanone 645.88
    2-pentanone 398.57
    anisole 312.61
    cyclopentyl methyl ether 339.67
    gamma-butyrolactone 570.11
    1-methoxy-2-propanol 134.96
    pyridine 547.46
    3-pentanone 316.6
    furfural 371.8
    n-dodecane 38.15
    diethylene glycol 111.39
    diisopropyl ether 115.56
    tert-amyl alcohol 96.5
    acetylacetone 384.84
    n-hexadecane 43.77
    acetophenone 248.59
    methyl propionate 278.36
    isopentyl acetate 323.4
    trichloroethylene 882.88
    n-nonanol 119.04
    cyclohexanol 113.82
    benzyl alcohol 143.19
    2-ethylhexanol 172.26
    isooctanol 98.58
    dipropyl ether 477.38
    1,2-dichlorobenzene 201.52
    ethyl lactate 83.15
    propylene carbonate 290.6
    n-methylformamide 183.75
    2-pentanol 88.11
    n-pentane 49.79
    1-propoxy-2-propanol 202.35
    1-methoxy-2-propyl acetate 256.09
    2-(2-methoxypropoxy) propanol 152.14
    mesitylene 97.16
    ε-caprolactone 383.81
    p-cymene 128.21
    epichlorohydrin 680.13
    1,1,1-trichloroethane 447.16
    2-aminoethanol 38.61
    morpholine-4-carbaldehyde 398.22
    sulfolane 414.79
    2,2,4-trimethylpentane 20.86
    2-methyltetrahydrofuran 507.53
    n-hexyl acetate 262.48
    isooctane 21.11
    2-(2-butoxyethoxy)ethanol 202.75
    sec-butyl acetate 188.45
    tert-butyl acetate 202.69
    decalin 49.59
    glycerin 33.97
    diglyme 485.02
    acrylic acid 82.1
    isopropyl myristate 129.08
    n-butyric acid 157.1
    acetyl acetate 219.31
    di(2-ethylhexyl) phthalate 78.52
    ethyl propionate 269.23
    nitromethane 311.23
    1,2-diethoxyethane 454.5
    benzonitrile 207.58
    trioctyl phosphate 71.0
    1-bromopropane 390.91
    gamma-valerolactone 558.99
    n-decanol 96.88
    triethyl phosphate 108.3
    4-methyl-2-pentanol 61.09
    propionitrile 208.52
    vinylene carbonate 283.45
    1,1,2-trichlorotrifluoroethane 178.89
    DMS 212.18
    cumene 119.18
    2-octanol 94.52
    2-hexanone 359.8
    octyl acetate 147.01
    limonene 177.27
    1,2-dimethoxyethane 543.51
    ethyl orthosilicate 107.5
    tributyl phosphate 88.72
    diacetone alcohol 168.11
    N,N-dimethylaniline 190.9
    acrylonitrile 241.29
    aniline 146.28
    1,3-propanediol 66.37
    bromobenzene 299.39
    dibromomethane 617.19
    1,1,2,2-tetrachloroethane 506.28
    2-methyl-cyclohexyl acetate 187.59
    tetrabutyl urea 131.6
    diisobutyl methanol 109.62
    2-phenylethanol 170.45
    styrene 225.81
    dioctyl adipate 147.23
    dimethyl sulfate 186.06
    ethyl butyrate 353.04
    methyl lactate 74.26
    butyl lactate 101.47
    diethyl carbonate 196.79
    propanediol butyl ether 96.23
    triethyl orthoformate 184.22
    p-tert-butyltoluene 110.3
    methyl 4-tert-butylbenzoate 173.35
    morpholine 537.12
    tert-butylamine 81.41
    n-dodecanol 81.96
    dimethoxymethane 399.97
    ethylene carbonate 247.7
    cyrene 141.36
    2-ethoxyethyl acetate 263.13
    2-ethylhexyl acetate 287.09
    1,2,4-trichlorobenzene 212.99
    4-methylpyridine 434.83
    dibutyl ether 302.14
    2,6-dimethyl-4-heptanol 109.62
    DEF 326.33
    dimethyl isosorbide 288.1
    tetrachloroethylene 358.81
    eugenol 156.73
    triacetin 202.51
    span 80 119.21
    1,4-butanediol 37.47
    1,1-dichloroethane 480.17
    2-methyl-1-pentanol 87.62
    methyl formate 199.81
    2-methyl-1-butanol 82.26
    n-decane 63.24
    butyronitrile 224.5
    3,7-dimethyl-1-octanol 113.8
    1-chlorooctane 159.62
    1-chlorotetradecane 70.17
    n-nonane 69.4
    undecane 47.88
    tert-butylcyclohexane 47.12
    cyclooctane 44.62
    cyclopentanol 131.29
    tetrahydropyran 631.17
    tert-amyl methyl ether 154.87
    2,5,8-trioxanonane 299.73
    1-hexene 219.61
    2-isopropoxyethanol 130.92
    2,2,2-trifluoroethanol 47.2
    methyl butyrate 362.87

    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