2-Ethoxynaphthalene

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  • Identifiers

    CAS number
    93-18-5

    Molecular formula
    C12H12O

    SMILES
    CCOC1=CC2=CC=CC=C2C=C1

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 84.57%
    Fruity 78.45%
    Sweet 58.42%
    Anisic 42.17%
    Orange 40.42%
    Rose 39.95%
    Powdery 37.94%
    Grape 34.32%
    Raspberry 34.27%
    Berry 32.9%

     

    Flavor
    Rose 44.4%
    Sweet 42.99%
    Floral 42.05%
    Phenolic 41.64%
    Anise 41.06%
    Green 38.14%
    Balsam 37.51%
    Geranium 33.93%
    Bitter 31.32%
    Fruity 30.08%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    7.23 (neutral)

    Molecular weight
    172.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 37.5 °C

    Boiling point

    • 282.00 °C. @ 760.00 mm Hg

    Flash point

    • 122.51 ˚C est.

    Solubility expt.

    • Insoluble in water, soluble in oils
    • soluble (in ethanol)

  • Synonyms

    • 2-ETHOXYNAPHTHALENE
    • 93-18-5
    • Bromelia
    • Naphthalene, 2-ethoxy-
    • Neroline
    • Nerolin II
    • Ethyl 2-naphthyl ether
    • Nerolin new
    • Bromelia (compound)
    • beta-Naphthyl ethyl ether
    • 2-Naphthol ethyl ether
    • beta-Naphthol ethyl ether
    • Ethyl beta-naphthyl ether
    • Ethyl beta-naphtholate
    • .beta.-Naphthol ethyl ether
    • Nerolin bromelia
    • FEMA No. 2768
    • Ethyl .beta.-naphtholate
    • .beta.-Naphthyl ethyl ether
    • Ethyl .beta.-naphthyl ether
    • NSC 1319
    • EINECS 202-226-7
    • ZF3IS6G3R7
    • 2-ethoxy-naphthalene
    • BRN 2042397
    • AI3-00132
    • NSC-1319
    • DTXSID2049684
    • GUMOJENFFHZAFP-UHFFFAOYSA-
    • 2-ETHOXYNAPHTHALENE [MI]
    • 4-06-00-04257 (Beilstein Handbook Reference)
    • BETA-NAPHTHYL ETHYL ETHER [FCC]
    • .BETA.-NAPHTHYL ETHYL ETHER [FHFI]
    • UNII-ZF3IS6G3R7
    • ETHYL-beta-NAPTHYLETHER
    • 2-ethoxynapthalene
    • Nerolin (new)
    • MFCD00016808
    • beta-Ethoxynaphthalene
    • b-Naphthyl ethyl ether
    • .beta.-Ethoxynaphthalene
    • |A-Naphthol ethyl ether
    • 2-ETHOXY NAPHTHALENE
    • SCHEMBL111274
    • WLN: L66J CO2
    • DTXCID9029643
    • FEMA 2768
    • Nerolin bromelia, >=99%, FG
    • NSC1319
    • CHEBI:173790
    • AKOS000280859
    • CS-W010770
    • 2-Ethoxynaphthalene, analytical standard
    • AS-57148
    • DB-026990
    • N0431
    • NS00012437
    • EN300-16134
    • E82989
    • Q1371468
    • Z53835291

  • Applications

    Nerolin bromelia (CAS 93-18-5) is a synthetic aromatic ingredient with a sweet orange-blossom nuance, widely employed as a mid-note fragrance and fixative in fine perfumery, scented soaps, personal-care products, household detergents, scented candles and industrial fragrances; its excellent thermal and chemical stability allows it to preserve scent in alkaline bar soap bases, mask harsh chemical odours in cleaners, add depth to white-floral accords, and extend the longevity and diffusion of oriental, fougère and citrus perfumes, thanks to good compatibility with orange oil, petitgrain, ylang-ylang, coumarin and various aromatic esters.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 286.15
    methanol 241.36
    isopropanol 142.73
    water 0.1
    ethyl acetate 873.93
    n-propanol 229.04
    acetone 614.58
    n-butanol 225.99
    acetonitrile 494.34
    DMF 385.12
    toluene 562.69
    isobutanol 140.75
    1,4-dioxane 2405.3
    methyl acetate 652.08
    THF 1427.74
    2-butanone 506.75
    n-pentanol 192.96
    sec-butanol 143.22
    n-hexane 231.27
    ethylene glycol 53.04
    NMP 312.49
    cyclohexane 351.94
    DMSO 602.67
    n-butyl acetate 733.98
    n-octanol 92.85
    chloroform 2573.55
    n-propyl acetate 491.94
    acetic acid 255.53
    dichloromethane 3285.67
    cyclohexanone 806.62
    propylene glycol 47.51
    isopropyl acetate 365.33
    DMAc 342.77
    2-ethoxyethanol 337.27
    isopentanol 183.21
    n-heptane 132.04
    ethyl formate 303.83
    1,2-dichloroethane 2380.86
    n-hexanol 278.53
    2-methoxyethanol 415.4
    isobutyl acetate 325.8
    tetrachloromethane 299.07
    n-pentyl acetate 238.54
    transcutol 1420.61
    n-heptanol 88.02
    ethylbenzene 278.36
    MIBK 232.94
    2-propoxyethanol 449.54
    tert-butanol 205.29
    MTBE 423.87
    2-butoxyethanol 174.75
    propionic acid 194.56
    o-xylene 225.49
    formic acid 49.82
    diethyl ether 1300.02
    m-xylene 217.34
    p-xylene 280.85
    chlorobenzene 619.52
    dimethyl carbonate 249.13
    n-octane 46.28
    formamide 112.82
    cyclopentanone 684.22
    2-pentanone 432.49
    anisole 548.23
    cyclopentyl methyl ether 651.99
    gamma-butyrolactone 784.69
    1-methoxy-2-propanol 227.17
    pyridine 1244.18
    3-pentanone 462.28
    furfural 582.83
    n-dodecane 31.18
    diethylene glycol 243.13
    diisopropyl ether 224.49
    tert-amyl alcohol 162.82
    acetylacetone 528.18
    n-hexadecane 36.84
    acetophenone 336.63
    methyl propionate 491.15
    isopentyl acetate 501.25
    trichloroethylene 2899.46
    n-nonanol 93.16
    cyclohexanol 257.99
    benzyl alcohol 232.18
    2-ethylhexanol 202.74
    isooctanol 79.63
    dipropyl ether 624.05
    1,2-dichlorobenzene 494.56
    ethyl lactate 112.7
    propylene carbonate 436.2
    n-methylformamide 175.44
    2-pentanol 137.11
    n-pentane 114.33
    1-propoxy-2-propanol 262.9
    1-methoxy-2-propyl acetate 459.3
    2-(2-methoxypropoxy) propanol 237.57
    mesitylene 142.93
    ε-caprolactone 699.89
    p-cymene 137.69
    epichlorohydrin 1460.03
    1,1,1-trichloroethane 1240.12
    2-aminoethanol 100.19
    morpholine-4-carbaldehyde 645.95
    sulfolane 599.08
    2,2,4-trimethylpentane 39.95
    2-methyltetrahydrofuran 1032.88
    n-hexyl acetate 321.91
    isooctane 32.56
    2-(2-butoxyethoxy)ethanol 306.05
    sec-butyl acetate 306.83
    tert-butyl acetate 333.64
    decalin 123.08
    glycerin 77.94
    diglyme 796.52
    acrylic acid 158.39
    isopropyl myristate 152.13
    n-butyric acid 303.93
    acetyl acetate 514.91
    di(2-ethylhexyl) phthalate 114.32
    ethyl propionate 439.54
    nitromethane 527.2
    1,2-diethoxyethane 1028.07
    benzonitrile 342.52
    trioctyl phosphate 74.81
    1-bromopropane 1148.95
    gamma-valerolactone 783.95
    n-decanol 76.32
    triethyl phosphate 194.35
    4-methyl-2-pentanol 83.13
    propionitrile 394.06
    vinylene carbonate 433.65
    1,1,2-trichlorotrifluoroethane 459.93
    DMS 410.23
    cumene 152.58
    2-octanol 62.12
    2-hexanone 406.55
    octyl acetate 170.47
    limonene 218.58
    1,2-dimethoxyethane 985.12
    ethyl orthosilicate 190.76
    tributyl phosphate 118.06
    diacetone alcohol 209.98
    N,N-dimethylaniline 273.04
    acrylonitrile 408.41
    aniline 367.3
    1,3-propanediol 159.84
    bromobenzene 813.82
    dibromomethane 2031.34
    1,1,2,2-tetrachloroethane 2048.97
    2-methyl-cyclohexyl acetate 289.93
    tetrabutyl urea 150.17
    diisobutyl methanol 115.21
    2-phenylethanol 255.2
    styrene 419.58
    dioctyl adipate 217.21
    dimethyl sulfate 242.29
    ethyl butyrate 494.65
    methyl lactate 93.21
    butyl lactate 121.61
    diethyl carbonate 350.8
    propanediol butyl ether 105.82
    triethyl orthoformate 301.62
    p-tert-butyltoluene 129.58
    methyl 4-tert-butylbenzoate 213.23
    morpholine 1616.1
    tert-butylamine 170.52
    n-dodecanol 67.38
    dimethoxymethane 627.74
    ethylene carbonate 424.52
    cyrene 177.12
    2-ethoxyethyl acetate 402.69
    2-ethylhexyl acetate 459.13
    1,2,4-trichlorobenzene 561.79
    4-methylpyridine 783.2
    dibutyl ether 389.82
    2,6-dimethyl-4-heptanol 115.21
    DEF 495.66
    dimethyl isosorbide 445.73
    tetrachloroethylene 1293.62
    eugenol 191.82
    triacetin 302.21
    span 80 168.71
    1,4-butanediol 64.05
    1,1-dichloroethane 1387.71
    2-methyl-1-pentanol 188.97
    methyl formate 180.97
    2-methyl-1-butanol 169.25
    n-decane 52.33
    butyronitrile 363.02
    3,7-dimethyl-1-octanol 118.29
    1-chlorooctane 170.11
    1-chlorotetradecane 76.47
    n-nonane 54.34
    undecane 39.1
    tert-butylcyclohexane 91.65
    cyclooctane 113.78
    cyclopentanol 200.58
    tetrahydropyran 1825.3
    tert-amyl methyl ether 291.26
    2,5,8-trioxanonane 521.17
    1-hexene 510.5
    2-isopropoxyethanol 236.3
    2,2,2-trifluoroethanol 76.25
    methyl butyrate 502.48

    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