Alpha-Naphthylthiourea

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  • Identifiers

    CAS number
    86-88-4

    Molecular formula
    C11H10N2S

    SMILES
    C1=CC=C2C(=C1)C=CC=C2NC(=S)N

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Meaty 40.32%
    Cheesy 35.74%
    Sulfurous 34.26%
    Odorless 33.87%
    Cooked 32.03%
    Savory 31.43%
    Ripe 30.17%
    Fruity 27.78%
    Grape 25.23%
    Pungent 23.44%

     

    Flavor
    Bitter 38.11%
    Mild 31.88%
    Odorless 28.71%
    Nitrile 22.18%
    Very strong 20.7%
    Orange flower 20.68%
    Scallion 20.39%
    Indole 20.27%
    Moth ball 20.12%
    Orange blossom 19.85%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    9.6 (weak base)

    Molecular weight
    202.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 388 °F (EPA, 1998)
    • 198 °C
    • 388 °F

    Boiling point

    • Decomposes (NIOSH, 2024)
    • Decomposes

    Flash point

    • 195.92 ˚C est.
    • May burn but will not ignite readily (EPA, 1998)

    Solubility expt.

    • 0.06 % (NIOSH, 2024)
    • In water, 600 mg/L at 25 °C
    • Solubility in acetone = 2.43 g/100 mL; in triethylene glycol = 8.6 g/100 mL; fairly soluble in hot alcohol
    • Slightly soluble in ethanol, ethyl ether, acetone
    • Very slightly soluble in most organic solvents
    • Solubility in water: none
    • 0.06%

  • Synonyms

    • 1-(1-Naphthyl)-2-thiourea
    • ANTU
    • 86-88-4
    • 1-Naphthylthiourea
    • Dirax
    • Rattrack
    • Anturat
    • Krysid
    • Naphtox
    • Bantu
    • Smeesana
    • Alrato
    • Kripid
    • Chemical 109
    • Kill kantz
    • Krysid pi
    • N-1-Naphthylthiourea
    • 1-Naphthalenylthiourea
    • 1-Naftylthioureum
    • Thiourea, 1-naphthalenyl-
    • 1-Naftil-tiourea
    • alpha-Naphthyl thiourea
    • Rat-Tu
    • ALPHA-NAPHTHYLTHIOUREA
    • .alpha.-Naphthylthiourea
    • 1-Naphthyl-thiouree
    • 1-Naphthyl(2-thiourea)
    • Alphanaphthyl thiourea
    • 1-Naphthyl-thioharnstoff
    • Urea, 1-(1-naphthyl)-2-thio-
    • Usaf ek-p-5976
    • 1-(1-Naphthyl)thiourea
    • Rcra waste number P072
    • Alphanaphtyl thiouree
    • N-(1-Naphthyl)-2-thiourea
    • 1-naphthalen-1-ylthiourea
    • 1-Naftylthioureum [Dutch]
    • NSC 3287
    • 1-Naftil-tiourea [Italian]
    • 1-Naphthyl-thiouree [French]
    • alpha-Naftylthiomocovina
    • Alphanaphtyl thiouree [French]
    • alpha-Naftylthiomocovina [Czech]
    • UNII-UKY0H6XJ4J
    • 1-Naphthyl-thioharnstoff [German]
    • alpha-Naphthalthioharnstoff
    • RCRA waste no. P072
    • alpha-Naphthalthioharnstoff [German]
    • UN1651
    • .alpha.-Naphthylthiocarbamide
    • U 5227
    • DTXSID8020919
    • .alpha.-Naphthothiourea
    • U5227
    • UKY0H6XJ4J
    • 1-(naphthalen-1-yl)thiourea
    • Thiourea, N-1-naphthalenyl-
    • DTXCID80919
    • CHEBI:82256
    • NSC-3287
    • UN 1651
    • 1-Naphthyl thiourea
    • alpha-Naphthothiourea
    • Alphanaphtyl thiouree (French)
    • alpha-Naftylthiomocovina (Czech)
    • Caswell No. 028
    • 1-NAFTYLTHIOUREUM (DUTCH)
    • naphthalen-1-ylthiourea
    • 1-NAFTIL-TIOUREA (ITALIAN)
    • alpha-Naphthalthioharnstoff (German)
    • 1-NAPHTHYL-THIOUREE (FRENCH)
    • alpha-Naphthylthiocarbamide
    • ANTU [ISO:BSI:ISO]
    • 1-NAPHTHYL-THIOHARNSTOFF (GERMAN)
    • HSDB 1512
    • N-1-Naphthalenylthiourea
    • EINECS 201-706-3
    • EPA Pesticide Chemical Code 116701
    • BRN 0778118
    • Naphthylthiourea
    • AI3-07550
    • 1-Naphtylthiourea
    • U-5227
    • naphthyl isothiourea
    • Amino(naphthylamino)methane-1-thione
    • N-(1-Naphthyl)thiourea
    • naphthalen-1-yl-thiourea
    • ?-NAPHTHYLTHIOUREA
    • ANTU [HSDB]
    • .alpha.-Naphthyl thiourea
    • ANTU [ISO]
    • (naphthalen-1-yl)thiourea
    • ANTU [MART.]
    • ANTU [MI]
    • WLN: L66J BMYZUS
    • 4-12-00-03086 (Beilstein Handbook Reference)
    • SCHEMBL260429
    • CHEMBL3182781
    • NSC3287
    • alpha-Naphthylthiourea (DOT:OSHA)
    • Tox21_203002
    • USEPA/OPP Pesticide Code: 4501
    • BBL007613
    • MFCD00041824
    • STK365636
    • AKOS003620054
    • FS-4197
    • MSK000665-100A
    • CAS-86-88-4
    • Naphthylthiourea [UN1651] [Poison]
    • NAPHTHYL)-2-THIOUREA, 1-(1-
    • NCGC00160586-01
    • NCGC00260547-01
    • Antu Solution in Acetonitrile, 100ug/mL
    • ANTU, PESTANAL(R), analytical standard
    • N0071
    • NS00039156
    • U5277
    • C19136
    • D91637
    • EN300-265721
    • A841869
    • Q413532
    • F9995-0305

  • Applications

    Alpha-Naphthylthiourea (CAS 86-88-4) is primarily used as an intermediate in organic synthesis to prepare aryl-thiourea derivatives and related heterocycles; it also serves as a building block in the dye and pigment industry for producing colorants and functional additives used in coatings and printing. In polymer and coating technologies, it can be employed to introduce thiourea functionality into polymer chains to enhance crosslinking and material performance. It is commonly evaluated as a precursor in pharmaceutical and agrochemical syntheses at the laboratory scale. In analytical and research contexts, Alpha-Naphthylthiourea may participate in forming thiosemicarbazones or metal complexes to support coordination chemistry studies.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 18.21
    methanol 36.35
    isopropanol 7.21
    water 0.18
    ethyl acetate 32.38
    n-propanol 14.1
    acetone 112.09
    n-butanol 10.23
    acetonitrile 20.61
    DMF 331.42
    toluene 3.8
    isobutanol 7.28
    1,4-dioxane 98.99
    methyl acetate 34.45
    THF 266.2
    2-butanone 45.73
    n-pentanol 10.6
    sec-butanol 5.08
    n-hexane 0.06
    ethylene glycol 12.78
    NMP 139.25
    cyclohexane 0.13
    DMSO 379.89
    n-butyl acetate 20.07
    n-octanol 7.79
    chloroform 12.44
    n-propyl acetate 22.0
    acetic acid 47.72
    dichloromethane 13.89
    cyclohexanone 60.5
    propylene glycol 10.88
    isopropyl acetate 13.82
    DMAc 163.44
    2-ethoxyethanol 36.82
    isopentanol 8.56
    n-heptane 0.5
    ethyl formate 34.23
    1,2-dichloroethane 15.34
    n-hexanol 15.0
    2-methoxyethanol 79.59
    isobutyl acetate 13.81
    tetrachloromethane 1.57
    n-pentyl acetate 15.28
    transcutol 59.93
    n-heptanol 11.51
    ethylbenzene 1.96
    MIBK 14.9
    2-propoxyethanol 48.11
    tert-butanol 10.2
    MTBE 6.07
    2-butoxyethanol 30.14
    propionic acid 23.87
    o-xylene 2.54
    formic acid 24.65
    diethyl ether 9.02
    m-xylene 2.91
    p-xylene 3.2
    chlorobenzene 9.69
    dimethyl carbonate 42.38
    n-octane 0.27
    formamide 53.39
    cyclopentanone 178.85
    2-pentanone 33.46
    anisole 17.95
    cyclopentyl methyl ether 28.94
    gamma-butyrolactone 185.13
    1-methoxy-2-propanol 44.82
    pyridine 59.81
    3-pentanone 22.14
    furfural 116.19
    n-dodecane 0.36
    diethylene glycol 46.71
    diisopropyl ether 1.98
    tert-amyl alcohol 6.46
    acetylacetone 63.47
    n-hexadecane 0.4
    acetophenone 23.53
    methyl propionate 38.6
    isopentyl acetate 16.92
    trichloroethylene 40.36
    n-nonanol 8.23
    cyclohexanol 6.91
    benzyl alcohol 19.91
    2-ethylhexanol 9.0
    isooctanol 9.01
    dipropyl ether 12.03
    1,2-dichlorobenzene 9.29
    ethyl lactate 18.05
    propylene carbonate 59.04
    n-methylformamide 95.81
    2-pentanol 4.21
    n-pentane 0.06
    1-propoxy-2-propanol 28.84
    1-methoxy-2-propyl acetate 30.36
    2-(2-methoxypropoxy) propanol 24.36
    mesitylene 1.77
    ε-caprolactone 47.62
    p-cymene 3.97
    epichlorohydrin 134.63
    1,1,1-trichloroethane 7.65
    2-aminoethanol 17.36
    morpholine-4-carbaldehyde 126.24
    sulfolane 170.32
    2,2,4-trimethylpentane 0.15
    2-methyltetrahydrofuran 53.86
    n-hexyl acetate 15.9
    isooctane 0.14
    2-(2-butoxyethoxy)ethanol 32.05
    sec-butyl acetate 10.72
    tert-butyl acetate 14.27
    decalin 0.25
    glycerin 29.14
    diglyme 67.56
    acrylic acid 30.32
    isopropyl myristate 7.61
    n-butyric acid 29.77
    acetyl acetate 23.93
    di(2-ethylhexyl) phthalate 12.28
    ethyl propionate 18.41
    nitromethane 153.46
    1,2-diethoxyethane 22.86
    benzonitrile 19.83
    trioctyl phosphate 9.0
    1-bromopropane 3.16
    gamma-valerolactone 177.13
    n-decanol 6.5
    triethyl phosphate 11.77
    4-methyl-2-pentanol 4.07
    propionitrile 14.87
    vinylene carbonate 55.65
    1,1,2-trichlorotrifluoroethane 72.98
    DMS 21.21
    cumene 2.07
    2-octanol 6.05
    2-hexanone 22.22
    octyl acetate 11.05
    limonene 4.96
    1,2-dimethoxyethane 80.02
    ethyl orthosilicate 10.52
    tributyl phosphate 9.15
    diacetone alcohol 26.02
    N,N-dimethylaniline 11.94
    acrylonitrile 27.94
    aniline 13.92
    1,3-propanediol 22.52
    bromobenzene 6.7
    dibromomethane 5.45
    1,1,2,2-tetrachloroethane 26.29
    2-methyl-cyclohexyl acetate 16.57
    tetrabutyl urea 14.02
    diisobutyl methanol 5.21
    2-phenylethanol 20.49
    styrene 2.78
    dioctyl adipate 14.02
    dimethyl sulfate 65.97
    ethyl butyrate 17.33
    methyl lactate 30.84
    butyl lactate 17.17
    diethyl carbonate 14.42
    propanediol butyl ether 23.02
    triethyl orthoformate 14.73
    p-tert-butyltoluene 3.68
    methyl 4-tert-butylbenzoate 22.58
    morpholine 88.19
    tert-butylamine 3.38
    n-dodecanol 5.07
    dimethoxymethane 132.25
    ethylene carbonate 42.39
    cyrene 36.77
    2-ethoxyethyl acetate 26.45
    2-ethylhexyl acetate 13.5
    1,2,4-trichlorobenzene 14.59
    4-methylpyridine 32.89
    dibutyl ether 6.88
    2,6-dimethyl-4-heptanol 5.21
    DEF 40.54
    dimethyl isosorbide 48.02
    tetrachloroethylene 17.15
    eugenol 26.19
    triacetin 23.76
    span 80 21.3
    1,4-butanediol 11.13
    1,1-dichloroethane 6.76
    2-methyl-1-pentanol 9.17
    methyl formate 93.27
    2-methyl-1-butanol 6.95
    n-decane 0.51
    butyronitrile 14.06
    3,7-dimethyl-1-octanol 6.73
    1-chlorooctane 2.91
    1-chlorotetradecane 1.51
    n-nonane 0.37
    undecane 0.42
    tert-butylcyclohexane 0.29
    cyclooctane 0.08
    cyclopentanol 16.92
    tetrahydropyran 39.25
    tert-amyl methyl ether 5.97
    2,5,8-trioxanonane 46.52
    1-hexene 0.68
    2-isopropoxyethanol 23.59
    2,2,2-trifluoroethanol 20.22
    methyl butyrate 25.88

    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