2-Methylnaphth(2,1-d)oxazole

Overview IFRA Request a quote

  • Identifiers

    CAS number
    20686-65-1

    Molecular formula
    C12H9NO

    SMILES
    CC1=NC2=C(O1)C3=CC=CC=C3C=C2

    Safety labels

  • Odor profile

    Fragrance
    Floral 73.35%
    Animal 46.72%
    Sweet 46.17%
    Fruity 41.44%
    Neroli 38.51%
    Powdery 35.57%
    Burnt 34.53%
    Phenolic 34.17%
    Orange 32.11%
    Grape 29.79%

     

    Flavor
    Bitter 73.37%
    Coffee 26.06%
    Very strong 25.59%
    Fecal 25.17%
    Indole 24.93%
    Animal 23.76%
    Moth ball 23.21%
    Naphthelene 23.09%
    Roasted 22.77%
    Burnt 22.49%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    5.7 (weak acid)

    Molecular weight
    183.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    315°C

    Flash point

    • 160.77 ˚C est.

  • Synonyms

    • 2-Methylnaphth[2,1-d]oxazole
    • Naphth[2,1-d]oxazole, 2-methyl-
    • 2-Methylnaphth(2,1-d)oxazole
    • Naphth(2,1-d)oxazole, 2-methyl-
    • EINECS 243-971-8
    • DTXSID2066642
    • RefChem:263886
    • DTXCID8036368
    • 243-971-8
    • 20686-65-1
    • 2-Methylnaphtho[2,1-d]oxazole
    • 2-Methylnaphtho(2,1-d)oxazole
    • 2-methylbenzo[g][1,3]benzoxazole
    • 2-methylnaphtho[2,1-d][1,3]oxazole
    • MFCD00022185
    • 2-methylbenzo[g]benzoxazole
    • 2-Methyl[1,2-d]naphthoxazole
    • SCHEMBL2490973
    • SCHEMBL2517690
    • CHEMBL1617598
    • SCHEMBL29728164
    • JKYSRHYQAVELLH-UHFFFAOYSA-N
    • AKOS015914381
    • AC-24516
    • AS-14262
    • SY116336
    • CS-0130261
    • EU-0076253
    • M1290
    • M2559
    • NS00026718
    • ST50825200
    • T72057
    • F239609
    • 20686-65-1

  • Applications

    2-Methylnaphth(2,1-d)oxazole is primarily used as an intermediate in chemical synthesis, enabling access to heterocyclic scaffolds that support pharmaceutical and agrochemical development. It is also explored as a building block for advanced materials in organic electronics, including OLEDs and organic semiconductors, where its fused naphthooxazole core can contribute favorable optical and electronic properties. In coatings and specialty inks, the compound serves as a dye/pigment precursor or functionalized intermediate for formulation of specialty coatings. In polymer chemistry, it can act as a functional monomer or crosslinking partner, enabling incorporation of heteroaromatic motifs into polymers for tailored properties. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 52.22
    methanol 52.38
    isopropanol 37.09
    water 0.29
    ethyl acetate 108.59
    n-propanol 46.78
    acetone 137.67
    n-butanol 45.06
    acetonitrile 56.83
    DMF 310.73
    toluene 88.12
    isobutanol 40.5
    1,4-dioxane 257.07
    methyl acetate 137.36
    THF 285.93
    2-butanone 113.67
    n-pentanol 47.39
    sec-butanol 41.07
    n-hexane 19.62
    ethylene glycol 21.91
    NMP 247.41
    cyclohexane 27.39
    DMSO 215.17
    n-butyl acetate 99.97
    n-octanol 51.7
    chloroform 378.99
    n-propyl acetate 102.82
    acetic acid 61.95
    dichloromethane 427.17
    cyclohexanone 179.08
    propylene glycol 18.87
    isopropyl acetate 66.17
    DMAc 240.04
    2-ethoxyethanol 80.82
    isopentanol 44.74
    n-heptane 19.36
    ethyl formate 81.77
    1,2-dichloroethane 241.75
    n-hexanol 67.0
    2-methoxyethanol 107.93
    isobutyl acetate 81.28
    tetrachloromethane 49.22
    n-pentyl acetate 82.83
    transcutol 181.61
    n-heptanol 47.03
    ethylbenzene 71.26
    MIBK 68.5
    2-propoxyethanol 116.41
    tert-butanol 48.04
    MTBE 53.24
    2-butoxyethanol 74.48
    propionic acid 60.56
    o-xylene 60.13
    formic acid 16.63
    diethyl ether 84.31
    m-xylene 59.64
    p-xylene 85.89
    chlorobenzene 113.6
    dimethyl carbonate 98.88
    n-octane 13.82
    formamide 36.63
    cyclopentanone 229.7
    2-pentanone 90.99
    anisole 110.49
    cyclopentyl methyl ether 124.49
    gamma-butyrolactone 252.35
    1-methoxy-2-propanol 73.93
    pyridine 189.16
    3-pentanone 92.33
    furfural 193.26
    n-dodecane 13.72
    diethylene glycol 96.18
    diisopropyl ether 33.26
    tert-amyl alcohol 45.3
    acetylacetone 127.41
    n-hexadecane 15.34
    acetophenone 104.46
    methyl propionate 113.31
    isopentyl acetate 88.37
    trichloroethylene 374.02
    n-nonanol 49.11
    cyclohexanol 61.18
    benzyl alcohol 82.36
    2-ethylhexanol 53.84
    isooctanol 41.59
    dipropyl ether 71.41
    1,2-dichlorobenzene 105.4
    ethyl lactate 55.95
    propylene carbonate 144.59
    n-methylformamide 91.6
    2-pentanol 34.14
    n-pentane 14.07
    1-propoxy-2-propanol 73.04
    1-methoxy-2-propyl acetate 95.72
    2-(2-methoxypropoxy) propanol 77.55
    mesitylene 40.21
    ε-caprolactone 155.69
    p-cymene 41.93
    epichlorohydrin 253.72
    1,1,1-trichloroethane 139.11
    2-aminoethanol 32.75
    morpholine-4-carbaldehyde 242.7
    sulfolane 246.65
    2,2,4-trimethylpentane 9.04
    2-methyltetrahydrofuran 150.56
    n-hexyl acetate 104.02
    isooctane 6.66
    2-(2-butoxyethoxy)ethanol 99.19
    sec-butyl acetate 68.68
    tert-butyl acetate 67.14
    decalin 22.12
    glycerin 34.02
    diglyme 183.96
    acrylic acid 60.31
    isopropyl myristate 50.87
    n-butyric acid 69.0
    acetyl acetate 79.43
    di(2-ethylhexyl) phthalate 51.12
    ethyl propionate 97.68
    nitromethane 126.93
    1,2-diethoxyethane 104.42
    benzonitrile 91.73
    trioctyl phosphate 38.77
    1-bromopropane 116.47
    gamma-valerolactone 230.09
    n-decanol 41.93
    triethyl phosphate 51.84
    4-methyl-2-pentanol 28.0
    propionitrile 65.89
    vinylene carbonate 156.26
    1,1,2-trichlorotrifluoroethane 117.7
    DMS 124.9
    cumene 51.54
    2-octanol 39.73
    2-hexanone 94.58
    octyl acetate 64.36
    limonene 49.15
    1,2-dimethoxyethane 205.21
    ethyl orthosilicate 47.97
    tributyl phosphate 45.86
    diacetone alcohol 68.12
    N,N-dimethylaniline 87.85
    acrylonitrile 90.27
    aniline 78.88
    1,3-propanediol 42.62
    bromobenzene 126.96
    dibromomethane 266.07
    1,1,2,2-tetrachloroethane 238.77
    2-methyl-cyclohexyl acetate 72.24
    tetrabutyl urea 62.69
    diisobutyl methanol 33.56
    2-phenylethanol 84.3
    styrene 81.45
    dioctyl adipate 63.87
    dimethyl sulfate 128.23
    ethyl butyrate 79.55
    methyl lactate 55.96
    butyl lactate 58.12
    diethyl carbonate 67.11
    propanediol butyl ether 56.86
    triethyl orthoformate 61.38
    p-tert-butyltoluene 37.76
    methyl 4-tert-butylbenzoate 82.61
    morpholine 180.36
    tert-butylamine 35.76
    n-dodecanol 36.7
    dimethoxymethane 195.49
    ethylene carbonate 132.21
    cyrene 93.97
    2-ethoxyethyl acetate 104.41
    2-ethylhexyl acetate 80.83
    1,2,4-trichlorobenzene 116.21
    4-methylpyridine 152.18
    dibutyl ether 70.29
    2,6-dimethyl-4-heptanol 33.56
    DEF 123.03
    dimethyl isosorbide 124.52
    tetrachloroethylene 181.56
    eugenol 91.49
    triacetin 93.84
    span 80 68.29
    1,4-butanediol 28.78
    1,1-dichloroethane 159.38
    2-methyl-1-pentanol 51.96
    methyl formate 101.51
    2-methyl-1-butanol 44.48
    n-decane 18.92
    butyronitrile 62.03
    3,7-dimethyl-1-octanol 44.92
    1-chlorooctane 55.84
    1-chlorotetradecane 30.34
    n-nonane 18.12
    undecane 15.92
    tert-butylcyclohexane 18.15
    cyclooctane 11.93
    cyclopentanol 66.78
    tetrahydropyran 161.36
    tert-amyl methyl ether 50.69
    2,5,8-trioxanonane 131.06
    1-hexene 55.06
    2-isopropoxyethanol 70.94
    2,2,2-trifluoroethanol 37.82
    methyl butyrate 120.57

    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