1-Ethylnaphthalene

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  • Identifiers

    CAS number
    1127-76-0

    Molecular formula
    C12H12

    SMILES
    CCC1=CC=CC2=CC=CC=C21

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Herbal 45.33%
    Woody 43.52%
    Spicy 42.49%
    Earthy 42.18%
    Sweet 39.55%
    Phenolic 38.83%
    Green 37.25%
    Leathery 35.63%
    Animal 34.32%
    Anisic 34.05%

     

    Flavor
    Plastic 32.13%
    Geranium 29.3%
    Gasoline 28.02%
    Medicinal 27.47%
    Phenolic 26.64%
    Pungent 26.33%
    Tar 25.22%
    Tarry 24.68%
    Guaiacol 24.5%
    Camphor 23.95%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    7.13 (neutral)

    Molecular weight
    156.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    252°C

    Flash point

    • 105.88 ˚C est.

  • Synonyms

    • 1-ETHYLNAPHTHALENE
    • 1127-76-0
    • Naphthalene, 1-ethyl-
    • .alpha.-Ethylnaphthalene
    • alpha-Ethylnaphthalene
    • EINECS 214-432-4
    • P1MIE8TZ19
    • NSC 59390
    • NSC-59390
    • DTXSID10870852
    • RefChem:432645
    • DTXCID50818536
    • 214-432-4
    • InChI=1/C12H12/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-9H,2H2,1H
    • ETHYLNAPHTHALENE
    • Naphthalene, ethyl-
    • 1-Ethylnaphtha
    • Poly(1-vinylnaphthalene)
    • MFCD00004049
    • 1-Ethyl-naphthalene
    • 29793-40-6
    • 27138-19-8
    • 1-ethyl naphthalene
    • NSC59390
    • SCHEMBL46
    • SCHEMBL47
    • UNII-P1MIE8TZ19
    • SCHEMBL26212
    • 1-Ethylnaphthalene, >=97%
    • BIDD:GT0281
    • SCHEMBL455640
    • SCHEMBL458549
    • SCHEMBL458630
    • SCHEMBL663537
    • CHEMBL317740
    • orb3023616
    • SCHEMBL1371339
    • SCHEMBL1663806
    • SCHEMBL1932441
    • SCHEMBL5397995
    • SCHEMBL5745436
    • SCHEMBL5747905
    • SCHEMBL7746016
    • SCHEMBL8911901
    • WLN: L66J B2
    • SCHEMBL30365968
    • MSK15409
    • MFCD00274663
    • SBB061448
    • AKOS015912536
    • CS-W008338
    • ES-2012
    • SY051576
    • DB-019173
    • E0146
    • NS00044590
    • ST51047461
    • F16030
    • F209201
    • Q63396539
    • 1127-76-0

  • Applications

    1-Ethylnaphthalene is primarily used as an industrial chemical intermediate. In practice it serves as a building block for the synthesis of aromatic dyes and pigments, providing a precursor to naphthalene-derived intermediates used in various coloration applications. It also functions as a feedstock for the manufacture of fine chemicals, including pharmaceutical and agrochemical intermediates based on the naphthalene scaffold. Additionally, the compound is employed in research and development as a reference material and starting point for the preparation of specialty polymers and resins derived from naphthalene derivatives. Applications are typically centered on intermediates rather than bulk chemicals, and their use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 638.0
    methanol 390.22
    isopropanol 433.62
    water 0.13
    ethyl acetate 2554.44
    n-propanol 586.61
    acetone 3488.35
    n-butanol 579.09
    acetonitrile 2086.43
    DMF 3027.67
    toluene 2963.37
    isobutanol 394.51
    1,4-dioxane 5845.58
    methyl acetate 2231.92
    THF 5492.83
    2-butanone 2490.55
    n-pentanol 414.63
    sec-butanol 380.24
    n-hexane 1053.08
    ethylene glycol 58.91
    NMP 2234.9
    cyclohexane 1511.03
    DMSO 2129.57
    n-butyl acetate 6295.44
    n-octanol 700.29
    chloroform 5453.66
    n-propyl acetate 2137.23
    acetic acid 407.46
    dichloromethane 9667.17
    cyclohexanone 4828.69
    propylene glycol 56.16
    isopropyl acetate 1341.11
    DMAc 1312.99
    2-ethoxyethanol 519.1
    isopentanol 419.82
    n-heptane 1676.53
    ethyl formate 1799.23
    1,2-dichloroethane 7351.3
    n-hexanol 1240.15
    2-methoxyethanol 788.47
    isobutyl acetate 1338.31
    tetrachloromethane 1478.43
    n-pentyl acetate 1700.84
    transcutol 1832.98
    n-heptanol 559.05
    ethylbenzene 1560.17
    MIBK 1145.22
    2-propoxyethanol 1290.76
    tert-butanol 489.8
    MTBE 1163.12
    2-butoxyethanol 652.0
    propionic acid 486.98
    o-xylene 1210.13
    formic acid 45.88
    diethyl ether 3400.91
    m-xylene 1503.45
    p-xylene 1593.95
    chlorobenzene 3057.23
    dimethyl carbonate 959.46
    n-octane 613.06
    formamide 194.9
    cyclopentanone 4675.71
    2-pentanone 2362.84
    anisole 1810.32
    cyclopentyl methyl ether 2987.73
    gamma-butyrolactone 4195.61
    1-methoxy-2-propanol 516.99
    pyridine 4607.97
    3-pentanone 2190.52
    furfural 2399.98
    n-dodecane 321.56
    diethylene glycol 391.7
    diisopropyl ether 829.5
    tert-amyl alcohol 360.41
    acetylacetone 2176.52
    n-hexadecane 394.37
    acetophenone 1284.92
    methyl propionate 1947.29
    isopentyl acetate 3221.83
    trichloroethylene 8162.33
    n-nonanol 615.5
    cyclohexanol 886.42
    benzyl alcohol 581.0
    2-ethylhexanol 1117.32
    isooctanol 446.9
    dipropyl ether 4063.86
    1,2-dichlorobenzene 2060.69
    ethyl lactate 356.58
    propylene carbonate 2224.75
    n-methylformamide 1147.98
    2-pentanol 419.2
    n-pentane 652.08
    1-propoxy-2-propanol 1115.58
    1-methoxy-2-propyl acetate 1932.96
    2-(2-methoxypropoxy) propanol 492.48
    mesitylene 863.54
    ε-caprolactone 3128.53
    p-cymene 1041.85
    epichlorohydrin 5328.2
    1,1,1-trichloroethane 4157.58
    2-aminoethanol 110.8
    morpholine-4-carbaldehyde 2500.08
    sulfolane 3114.46
    2,2,4-trimethylpentane 167.2
    2-methyltetrahydrofuran 3787.02
    n-hexyl acetate 2118.65
    isooctane 178.75
    2-(2-butoxyethoxy)ethanol 745.78
    sec-butyl acetate 1123.67
    tert-butyl acetate 1215.81
    decalin 555.92
    glycerin 72.48
    diglyme 2225.04
    acrylic acid 352.73
    isopropyl myristate 871.57
    n-butyric acid 909.45
    acetyl acetate 1262.88
    di(2-ethylhexyl) phthalate 393.19
    ethyl propionate 1807.66
    nitromethane 1554.78
    1,2-diethoxyethane 3416.18
    benzonitrile 1621.06
    trioctyl phosphate 388.35
    1-bromopropane 4309.71
    gamma-valerolactone 3845.34
    n-decanol 497.57
    triethyl phosphate 673.82
    4-methyl-2-pentanol 241.26
    propionitrile 1779.01
    vinylene carbonate 2121.4
    1,1,2-trichlorotrifluoroethane 865.97
    DMS 1414.63
    cumene 816.08
    2-octanol 480.04
    2-hexanone 1991.96
    octyl acetate 1013.58
    limonene 1591.29
    1,2-dimethoxyethane 2779.82
    ethyl orthosilicate 678.69
    tributyl phosphate 524.86
    diacetone alcohol 651.96
    N,N-dimethylaniline 1023.52
    acrylonitrile 1917.36
    aniline 1145.01
    1,3-propanediol 249.77
    bromobenzene 4055.56
    dibromomethane 6252.52
    1,1,2,2-tetrachloroethane 4536.26
    2-methyl-cyclohexyl acetate 1217.98
    tetrabutyl urea 780.76
    diisobutyl methanol 605.29
    2-phenylethanol 967.9
    styrene 1935.86
    dioctyl adipate 884.72
    dimethyl sulfate 1073.52
    ethyl butyrate 3184.94
    methyl lactate 286.15
    butyl lactate 500.01
    diethyl carbonate 1589.68
    propanediol butyl ether 328.94
    triethyl orthoformate 1351.65
    p-tert-butyltoluene 880.98
    methyl 4-tert-butylbenzoate 830.25
    morpholine 3995.77
    tert-butylamine 398.76
    n-dodecanol 419.14
    dimethoxymethane 2708.03
    ethylene carbonate 2133.81
    cyrene 436.64
    2-ethoxyethyl acetate 1742.05
    2-ethylhexyl acetate 3160.36
    1,2,4-trichlorobenzene 1847.23
    4-methylpyridine 3871.26
    dibutyl ether 2492.11
    2,6-dimethyl-4-heptanol 605.29
    DEF 2465.51
    dimethyl isosorbide 1364.11
    tetrachloroethylene 3575.19
    eugenol 610.86
    triacetin 944.99
    span 80 446.95
    1,4-butanediol 111.33
    1,1-dichloroethane 4656.22
    2-methyl-1-pentanol 324.81
    methyl formate 1232.72
    2-methyl-1-butanol 384.29
    n-decane 585.05
    butyronitrile 1930.56
    3,7-dimethyl-1-octanol 545.33
    1-chlorooctane 1444.39
    1-chlorotetradecane 560.45
    n-nonane 685.29
    undecane 430.86
    tert-butylcyclohexane 429.86
    cyclooctane 725.03
    cyclopentanol 882.33
    tetrahydropyran 5671.37
    tert-amyl methyl ether 855.45
    2,5,8-trioxanonane 1094.36
    1-hexene 2060.26
    2-isopropoxyethanol 415.58
    2,2,2-trifluoroethanol 150.6
    methyl butyrate 2375.32

    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