1,8-Dimethylnaphthalene

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  • Identifiers

    CAS number
    569-41-5

    Molecular formula
    C12H12

    SMILES
    CC1=C2C(=CC=CC2=CC=C1)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 62.28%
    Woody 58.87%
    Animal 40.96%
    Green 40.63%
    Leathery 38.85%
    Earthy 36.6%
    Phenolic 36.1%
    Sweet 35.78%
    Oily 31.65%
    Dry 31.04%

     

    Flavor
    Plastic 36.11%
    Medicinal 29.16%
    Phenolic 28.84%
    Naphthyl 26.56%
    Fecal 24.07%
    Camphor 23.33%
    Guaiacol 23.24%
    Animal 22.26%
    Flat 21.87%
    Leather 21.17%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    7.61 (neutral)

    Molecular weight
    156.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    266°C

    Flash point

    • 111.09 ˚C est.

  • Synonyms

    • 1,8-DIMETHYLNAPHTHALENE
    • Naphthalene, 1,8-dimethyl-
    • UNII-22P9FW1L76
    • 1,8-DMN
    • 22P9FW1L76
    • EINECS 209-314-4
    • DTXSID6060347
    • CHEBI:48610
    • RefChem:73759
    • DTXCID8042137
    • 209-314-4
    • InChI=1/C12H12/c1-9-5-3-7-11-8-4-6-10(2)12(9)11/h3-8H,1-2H
    • XAABPYINPXYOLM-UHFFFAOYSA-N
    • 569-41-5
    • MFCD00004040
    • 1,8-dimethyl naphthalene
    • 1,8-Dimethyl-naphthalene
    • SCHEMBL588459
    • SCHEMBL668494
    • orb3023442
    • SCHEMBL2862587
    • SCHEMBL9171705
    • SCHEMBL9171706
    • 1,8-Dimethylnaphthalene, 95%
    • SCHEMBL15899340
    • SCHEMBL29353343
    • AKOS015842633
    • FD-0040
    • DB-052989
    • 1,8-Dimethylnaphthalene, analytical standard
    • CS-0317619
    • NS00033609
    • ST45021939
    • G77259
    • Q27121288
    • 569-41-5

  • Applications

    1,8-Dimethylnaphthalene (CAS 569-41-5) is typically used as a chemical intermediate in the synthesis of specialty compounds. In practice, it may serve as a building block for dyes and pigments and as a potential fragrance ingredient or intermediate in perfumery. It can be considered for use in polymer and plastics applications as a rigid aromatic core in specialty monomers and resins. In coatings and inks, it can function as an intermediate for resin systems or as a non-polar additive in formulations. It may also be explored as a precursor for certain PAH-based structures in organic electronics research. All applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 701.82
    methanol 656.2
    isopropanol 458.41
    water 0.68
    ethyl acetate 2445.72
    n-propanol 706.23
    acetone 2834.54
    n-butanol 671.57
    acetonitrile 2397.97
    DMF 2309.69
    toluene 2750.69
    isobutanol 503.72
    1,4-dioxane 9350.35
    methyl acetate 2128.65
    THF 8940.17
    2-butanone 2091.08
    n-pentanol 608.61
    sec-butanol 436.69
    n-hexane 1370.49
    ethylene glycol 68.55
    NMP 2418.03
    cyclohexane 1536.05
    DMSO 1929.32
    n-butyl acetate 3515.45
    n-octanol 544.98
    chloroform 4002.26
    n-propyl acetate 1902.94
    acetic acid 423.47
    dichloromethane 5513.64
    cyclohexanone 4449.03
    propylene glycol 55.63
    isopropyl acetate 1402.2
    DMAc 994.53
    2-ethoxyethanol 789.46
    isopentanol 570.63
    n-heptane 774.61
    ethyl formate 1217.92
    1,2-dichloroethane 5179.57
    n-hexanol 1269.98
    2-methoxyethanol 990.82
    isobutyl acetate 1220.62
    tetrachloromethane 1161.75
    n-pentyl acetate 1363.18
    transcutol 1948.47
    n-heptanol 476.86
    ethylbenzene 1335.59
    MIBK 1249.77
    2-propoxyethanol 1838.64
    tert-butanol 620.01
    MTBE 1647.38
    2-butoxyethanol 691.36
    propionic acid 471.4
    o-xylene 970.31
    formic acid 84.03
    diethyl ether 4394.95
    m-xylene 1380.26
    p-xylene 1366.09
    chlorobenzene 2156.27
    dimethyl carbonate 958.59
    n-octane 361.08
    formamide 231.57
    cyclopentanone 4779.89
    2-pentanone 2183.17
    anisole 1912.15
    cyclopentyl methyl ether 4943.64
    gamma-butyrolactone 4596.22
    1-methoxy-2-propanol 717.34
    pyridine 4011.89
    3-pentanone 2032.02
    furfural 2041.43
    n-dodecane 200.09
    diethylene glycol 646.72
    diisopropyl ether 1219.41
    tert-amyl alcohol 471.31
    acetylacetone 1930.81
    n-hexadecane 242.45
    acetophenone 1097.96
    methyl propionate 1894.18
    isopentyl acetate 2156.4
    trichloroethylene 5185.99
    n-nonanol 479.17
    cyclohexanol 1029.78
    benzyl alcohol 624.43
    2-ethylhexanol 966.48
    isooctanol 418.97
    dipropyl ether 2772.96
    1,2-dichlorobenzene 1440.65
    ethyl lactate 330.14
    propylene carbonate 1690.54
    n-methylformamide 1049.33
    2-pentanol 525.28
    n-pentane 713.4
    1-propoxy-2-propanol 1173.65
    1-methoxy-2-propyl acetate 1626.02
    2-(2-methoxypropoxy) propanol 451.55
    mesitylene 856.98
    ε-caprolactone 3300.31
    p-cymene 592.14
    epichlorohydrin 6078.35
    1,1,1-trichloroethane 3347.83
    2-aminoethanol 136.98
    morpholine-4-carbaldehyde 2993.76
    sulfolane 3328.48
    2,2,4-trimethylpentane 219.65
    2-methyltetrahydrofuran 5903.75
    n-hexyl acetate 1728.73
    isooctane 244.72
    2-(2-butoxyethoxy)ethanol 744.25
    sec-butyl acetate 1114.22
    tert-butyl acetate 1467.27
    decalin 599.24
    glycerin 91.25
    diglyme 1917.72
    acrylic acid 350.84
    isopropyl myristate 632.03
    n-butyric acid 799.74
    acetyl acetate 1143.11
    di(2-ethylhexyl) phthalate 289.47
    ethyl propionate 1625.03
    nitromethane 1819.29
    1,2-diethoxyethane 3068.43
    benzonitrile 1296.39
    trioctyl phosphate 302.9
    1-bromopropane 3194.05
    gamma-valerolactone 4528.27
    n-decanol 371.1
    triethyl phosphate 508.04
    4-methyl-2-pentanol 356.86
    propionitrile 1797.49
    vinylene carbonate 1608.66
    1,1,2-trichlorotrifluoroethane 850.07
    DMS 1269.55
    cumene 675.57
    2-octanol 399.45
    2-hexanone 1882.31
    octyl acetate 748.6
    limonene 968.31
    1,2-dimethoxyethane 3171.37
    ethyl orthosilicate 529.01
    tributyl phosphate 386.01
    diacetone alcohol 834.11
    N,N-dimethylaniline 992.41
    acrylonitrile 1728.84
    aniline 1127.5
    1,3-propanediol 290.94
    bromobenzene 2693.18
    dibromomethane 4069.03
    1,1,2,2-tetrachloroethane 3284.31
    2-methyl-cyclohexyl acetate 1010.53
    tetrabutyl urea 525.14
    diisobutyl methanol 495.82
    2-phenylethanol 908.28
    styrene 1643.62
    dioctyl adipate 627.76
    dimethyl sulfate 1020.56
    ethyl butyrate 1852.9
    methyl lactate 301.53
    butyl lactate 429.43
    diethyl carbonate 926.27
    propanediol butyl ether 328.96
    triethyl orthoformate 987.42
    p-tert-butyltoluene 576.34
    methyl 4-tert-butylbenzoate 634.42
    morpholine 6257.4
    tert-butylamine 549.7
    n-dodecanol 310.12
    dimethoxymethane 3244.35
    ethylene carbonate 1765.87
    cyrene 478.03
    2-ethoxyethyl acetate 1519.4
    2-ethylhexyl acetate 2103.39
    1,2,4-trichlorobenzene 1334.55
    4-methylpyridine 3721.89
    dibutyl ether 1922.27
    2,6-dimethyl-4-heptanol 495.82
    DEF 2313.35
    dimethyl isosorbide 1256.18
    tetrachloroethylene 2558.54
    eugenol 511.21
    triacetin 668.58
    span 80 441.13
    1,4-butanediol 138.72
    1,1-dichloroethane 3448.69
    2-methyl-1-pentanol 511.3
    methyl formate 1159.36
    2-methyl-1-butanol 534.04
    n-decane 355.07
    butyronitrile 1776.08
    3,7-dimethyl-1-octanol 460.04
    1-chlorooctane 956.78
    1-chlorotetradecane 369.27
    n-nonane 410.63
    undecane 262.16
    tert-butylcyclohexane 505.51
    cyclooctane 708.42
    cyclopentanol 1054.11
    tetrahydropyran 7746.22
    tert-amyl methyl ether 1190.23
    2,5,8-trioxanonane 999.2
    1-hexene 2322.72
    2-isopropoxyethanol 643.43
    2,2,2-trifluoroethanol 175.47
    methyl butyrate 1906.41

    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