2-(2-Methylpropoxy)naphthalene

Overview IFRA Request a quote

  • Identifiers

    CAS number
    2173-57-1

    Molecular formula
    C14H16O

    SMILES
    CC(C)COC1=CC2=CC=CC=C2C=C1

  • Odor profile

    Fragrance
    Floral 86.18%
    Fruity 81.32%
    Sweet 71.51%
    Rose 47.18%
    Powdery 38.53%
    Anisic 36.92%
    Balsamic 34.62%
    Honey 33.86%
    Berry 31.96%
    Cherry 31.84%

     

    Flavor
    Floral 43.42%
    Sweet 42.84%
    Green 41.14%
    Balsam 33.69%
    Fruity 32.31%
    Rose 32.26%
    Herbal 30.26%
    Bitter 29.5%
    Earthy 29.47%
    Phenolic 28.48%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    7.6 (neutral)

    Molecular weight
    200.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 33 °C

    Boiling point

    • 308.00 to 309.00 °C. @ 760.00 mm Hg

    Flash point

    • 128.24 ˚C est.

    Solubility expt.

    • 0.00123 mg/mL
    • Insoluble in water, soluble in oils
    • soluble (in ethanol)

  • Synonyms

    • 2-Isobutoxynaphthalene
    • 2173-57-1
    • 2-(2-Methylpropoxy)naphthalene
    • Nerolin fragarol
    • Isobutyl 2-naphthyl ether
    • 2-Naphthyl isobutyl ether
    • beta-Naphthyl isobutyl ether
    • Naphthalene, 2-(2-methylpropoxy)-
    • Naphthalene, 2-isobutoxy-
    • Isobutyl beta-naphthyl ether
    • ETHER, ISOBUTYL(2-NAPHTHYL)
    • beta-Naphthol isobutyl ether
    • FEMA No. 3719
    • KX47O2O15C
    • EINECS 218-529-2
    • BRN 3242529
    • DTXSID1051484
    • NAPHTHYL ISOBUTYL ETHER, 2-
    • .BETA.-NAPHTHYL ISOBUTYL ETHER [FHFI]
    • 3-06-00-02973 (Beilstein Handbook Reference)
    • FRAGAROLE
    • fema 3719
    • MFCD00046467
    • Naphthalene, 2-isobutoxy- (7CI,8CI)
    • 2-Naphthylisobutylether
    • 2-Isobutoxy-Naphthalene
    • UNII-KX47O2O15C
    • SCHEMBL114254
    • DTXCID3030422
    • 2-(2-Methylpropoxy)-Naphthalene
    • CHEBI:172440
    • AKOS016010535
    • Naphthalene, 2-isobutoxy-(7CI,8CI)
    • BS-43788
    • DB-045679
    • CS-0449776
    • N0433
    • NS00012685
    • D97688
    • Q27282478
    • 218-529-2

  • Applications

    2-(2-Methylpropoxy)naphthalene (CAS 2173-57-1) is primarily used as an intermediate in organic synthesis for building more complex aromatic compounds. In perfumery and cosmetics, it may function as a fragrance ingredient or odorant component, contributing woody or resinous notes in formulations subject to regulatory limits. In household products, it can serve as a fragrance additive and processing solvent to assist formulation stability. In coatings, inks, and adhesives, it often acts as a solvent or processing aid for resins and dyes, aiding formulation performance and application. In polymer or plastics formulation, it may be evaluated as a processing aid or solubility modifier within regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 823.82
    methanol 399.85
    isopropanol 557.23
    water 0.08
    ethyl acetate 3437.15
    n-propanol 644.76
    acetone 2186.68
    n-butanol 830.53
    acetonitrile 1456.66
    DMF 977.0
    toluene 1171.5
    isobutanol 520.09
    1,4-dioxane 3658.62
    methyl acetate 2085.0
    THF 3294.94
    2-butanone 1943.58
    n-pentanol 716.93
    sec-butanol 596.81
    n-hexane 829.75
    ethylene glycol 57.47
    NMP 537.53
    cyclohexane 648.73
    DMSO 886.37
    n-butyl acetate 3484.98
    n-octanol 429.73
    chloroform 4911.91
    n-propyl acetate 1982.07
    acetic acid 679.2
    dichloromethane 5674.11
    cyclohexanone 2084.15
    propylene glycol 102.08
    isopropyl acetate 1696.58
    DMAc 943.8
    2-ethoxyethanol 988.52
    isopentanol 812.71
    n-heptane 417.61
    ethyl formate 1065.45
    1,2-dichloroethane 4355.54
    n-hexanol 1196.6
    2-methoxyethanol 1002.11
    isobutyl acetate 1354.32
    tetrachloromethane 544.6
    n-pentyl acetate 1049.21
    transcutol 3920.81
    n-heptanol 385.85
    ethylbenzene 848.75
    MIBK 1021.5
    2-propoxyethanol 1539.49
    tert-butanol 753.14
    MTBE 1866.55
    2-butoxyethanol 678.6
    propionic acid 532.84
    o-xylene 560.65
    formic acid 66.29
    diethyl ether 3588.1
    m-xylene 674.86
    p-xylene 942.59
    chlorobenzene 1346.13
    dimethyl carbonate 583.37
    n-octane 182.69
    formamide 172.39
    cyclopentanone 1714.4
    2-pentanone 1877.75
    anisole 1487.1
    cyclopentyl methyl ether 1615.45
    gamma-butyrolactone 1691.49
    1-methoxy-2-propanol 789.55
    pyridine 2184.16
    3-pentanone 1435.65
    furfural 1361.02
    n-dodecane 110.01
    diethylene glycol 580.48
    diisopropyl ether 876.23
    tert-amyl alcohol 623.23
    acetylacetone 1908.73
    n-hexadecane 126.15
    acetophenone 1012.98
    methyl propionate 1544.56
    isopentyl acetate 2608.28
    trichloroethylene 5703.96
    n-nonanol 387.45
    cyclohexanol 662.54
    benzyl alcohol 614.19
    2-ethylhexanol 933.57
    isooctanol 347.78
    dipropyl ether 2208.84
    1,2-dichlorobenzene 1135.39
    ethyl lactate 388.56
    propylene carbonate 1205.39
    n-methylformamide 372.06
    2-pentanol 675.96
    n-pentane 367.58
    1-propoxy-2-propanol 1205.93
    1-methoxy-2-propyl acetate 1640.07
    2-(2-methoxypropoxy) propanol 686.06
    mesitylene 414.8
    ε-caprolactone 1818.4
    p-cymene 449.97
    epichlorohydrin 3146.23
    1,1,1-trichloroethane 2934.06
    2-aminoethanol 151.92
    morpholine-4-carbaldehyde 1280.14
    sulfolane 1174.85
    2,2,4-trimethylpentane 132.31
    2-methyltetrahydrofuran 2472.54
    n-hexyl acetate 1389.67
    isooctane 135.73
    2-(2-butoxyethoxy)ethanol 1035.94
    sec-butyl acetate 1356.75
    tert-butyl acetate 1376.74
    decalin 317.74
    glycerin 124.48
    diglyme 2417.89
    acrylic acid 360.22
    isopropyl myristate 567.0
    n-butyric acid 1171.73
    acetyl acetate 1581.87
    di(2-ethylhexyl) phthalate 314.87
    ethyl propionate 1626.16
    nitromethane 1334.32
    1,2-diethoxyethane 3117.81
    benzonitrile 1009.17
    trioctyl phosphate 236.27
    1-bromopropane 2455.22
    gamma-valerolactone 1943.21
    n-decanol 303.6
    triethyl phosphate 534.98
    4-methyl-2-pentanol 407.8
    propionitrile 1165.65
    vinylene carbonate 1074.93
    1,1,2-trichlorotrifluoroethane 995.48
    DMS 1098.04
    cumene 491.17
    2-octanol 289.38
    2-hexanone 1687.37
    octyl acetate 639.21
    limonene 652.5
    1,2-dimethoxyethane 2654.47
    ethyl orthosilicate 553.01
    tributyl phosphate 391.94
    diacetone alcohol 806.94
    N,N-dimethylaniline 760.15
    acrylonitrile 1081.5
    aniline 738.66
    1,3-propanediol 366.98
    bromobenzene 1675.55
    dibromomethane 3851.15
    1,1,2,2-tetrachloroethane 4305.31
    2-methyl-cyclohexyl acetate 1013.84
    tetrabutyl urea 436.93
    diisobutyl methanol 441.16
    2-phenylethanol 806.24
    styrene 1114.87
    dioctyl adipate 697.63
    dimethyl sulfate 471.91
    ethyl butyrate 2070.72
    methyl lactate 284.66
    butyl lactate 478.57
    diethyl carbonate 1252.74
    propanediol butyl ether 425.28
    triethyl orthoformate 1041.16
    p-tert-butyltoluene 431.4
    methyl 4-tert-butylbenzoate 571.72
    morpholine 2932.2
    tert-butylamine 608.18
    n-dodecanol 259.23
    dimethoxymethane 1409.84
    ethylene carbonate 1053.48
    cyrene 411.37
    2-ethoxyethyl acetate 1436.13
    2-ethylhexyl acetate 2058.77
    1,2,4-trichlorobenzene 1167.28
    4-methylpyridine 1970.48
    dibutyl ether 1575.53
    2,6-dimethyl-4-heptanol 441.16
    DEF 1604.26
    dimethyl isosorbide 1120.72
    tetrachloroethylene 2422.19
    eugenol 531.82
    triacetin 887.93
    span 80 507.34
    1,4-butanediol 175.21
    1,1-dichloroethane 3500.25
    2-methyl-1-pentanol 766.43
    methyl formate 391.04
    2-methyl-1-butanol 692.33
    n-decane 192.2
    butyronitrile 1489.52
    3,7-dimethyl-1-octanol 498.63
    1-chlorooctane 649.83
    1-chlorotetradecane 258.22
    n-nonane 220.81
    undecane 138.35
    tert-butylcyclohexane 290.14
    cyclooctane 260.19
    cyclopentanol 451.72
    tetrahydropyran 3580.51
    tert-amyl methyl ether 1128.44
    2,5,8-trioxanonane 1329.33
    1-hexene 1911.04
    2-isopropoxyethanol 852.44
    2,2,2-trifluoroethanol 162.11
    methyl butyrate 2000.35

    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