1,3-Dimethylnaphthalene

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    575-41-7

    Molecular formula
    C12H12

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

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 64.03%
    Woody 61.27%
    Green 42.11%
    Animal 42.08%
    Leathery 39.14%
    Earthy 35.32%
    Sweet 35.08%
    Phenolic 34.94%
    Dry 31.81%
    Oily 31.41%

     

    Flavor
    Plastic 35.58%
    Medicinal 29.38%
    Phenolic 28.9%
    Naphthyl 26.55%
    Fecal 24.17%
    Camphor 23.45%
    Guaiacol 23.32%
    Animal 22.27%
    Leather 22.25%
    Flat 21.92%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    7.79 (neutral)

    Molecular weight
    156.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    262°C

    Flash point

    • 108.38 ˚C est.

  • Synonyms

    • 1,3-DIMETHYLNAPHTHALENE
    • 575-41-7
    • Naphthalene, 1,3-dimethyl-
    • 1,3-dimethyl-naphthalene
    • 1,3-DMN
    • 3RY1AV3CER
    • EINECS 209-384-6
    • NSC 66991
    • BRN 2039378
    • CHEBI:48614
    • UNII-3RY1AV3CER
    • NSC-66991
    • CHEMBL370524
    • DTXSID9060360
    • DIMETHYLNAPHTHALENE, 1,3-
    • 4-05-00-01708 (Beilstein Handbook Reference)
    • MFCD00004036
    • 111495-85-3
    • NSC66991
    • Naphthalene, 1,3dimethyl
    • 1,3-Dimethylnaphthalene, 96%
    • DTXCID2042226
    • BDBM50159274
    • STL509279
    • AKOS015913366
    • FD30130
    • LS-14058
    • CS-0128734
    • D0830
    • NS00005756
    • T71081
    • Q27121290
    • 209-384-6

  • Applications

    1,3-Dimethylnaphthalene (CAS 575-41-7) is used as a chemical intermediate in the synthesis of polycyclic aromatic compounds, including dyes and pigments, and as a building block for specialty polymers and resin formulations. In perfumery and cosmetics, it may serve as an odorant or fragrance ingredient and can function as a fixative in limited applications. In coatings and inks, it is often considered a high-boiling aromatic hydrocarbon component in specialty formulations. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1224.65
    methanol 865.75
    isopropanol 797.31
    water 0.28
    ethyl acetate 3477.77
    n-propanol 1115.75
    acetone 4407.32
    n-butanol 1167.96
    acetonitrile 3203.18
    DMF 3223.48
    toluene 3884.64
    isobutanol 760.68
    1,4-dioxane 8968.29
    methyl acetate 2737.2
    THF 10915.5
    2-butanone 3240.92
    n-pentanol 748.22
    sec-butanol 698.09
    n-hexane 2238.74
    ethylene glycol 76.39
    NMP 2471.52
    cyclohexane 2659.88
    DMSO 1873.54
    n-butyl acetate 7470.94
    n-octanol 981.2
    chloroform 4951.52
    n-propyl acetate 2416.63
    acetic acid 488.8
    dichloromethane 7432.03
    cyclohexanone 6073.15
    propylene glycol 83.55
    isopropyl acetate 1803.01
    DMAc 1340.07
    2-ethoxyethanol 798.64
    isopentanol 807.11
    n-heptane 3240.6
    ethyl formate 2235.81
    1,2-dichloroethane 6020.2
    n-hexanol 2585.7
    2-methoxyethanol 1202.05
    isobutyl acetate 1464.24
    tetrachloromethane 1379.75
    n-pentyl acetate 1858.63
    transcutol 1948.44
    n-heptanol 872.13
    ethylbenzene 1861.1
    MIBK 1660.16
    2-propoxyethanol 2441.47
    tert-butanol 851.67
    MTBE 2071.57
    2-butoxyethanol 871.24
    propionic acid 582.52
    o-xylene 1504.41
    formic acid 66.92
    diethyl ether 6094.54
    m-xylene 2010.3
    p-xylene 1862.79
    chlorobenzene 2676.88
    dimethyl carbonate 1049.94
    n-octane 882.02
    formamide 231.11
    cyclopentanone 6171.87
    2-pentanone 3640.59
    anisole 2128.98
    cyclopentyl methyl ether 5735.59
    gamma-butyrolactone 5241.51
    1-methoxy-2-propanol 893.88
    pyridine 4680.19
    3-pentanone 2969.31
    furfural 2275.18
    n-dodecane 437.28
    diethylene glycol 641.88
    diisopropyl ether 1421.57
    tert-amyl alcohol 655.01
    acetylacetone 2470.57
    n-hexadecane 526.27
    acetophenone 1253.76
    methyl propionate 2540.38
    isopentyl acetate 3780.91
    trichloroethylene 5980.92
    n-nonanol 838.49
    cyclohexanol 1634.72
    benzyl alcohol 709.04
    2-ethylhexanol 2022.01
    isooctanol 631.72
    dipropyl ether 6808.02
    1,2-dichlorobenzene 1633.14
    ethyl lactate 401.7
    propylene carbonate 2280.03
    n-methylformamide 1393.85
    2-pentanol 856.52
    n-pentane 1394.13
    1-propoxy-2-propanol 1826.32
    1-methoxy-2-propyl acetate 2318.48
    2-(2-methoxypropoxy) propanol 555.83
    mesitylene 1133.6
    ε-caprolactone 4111.72
    p-cymene 1247.46
    epichlorohydrin 6037.21
    1,1,1-trichloroethane 3610.25
    2-aminoethanol 158.82
    morpholine-4-carbaldehyde 3079.66
    sulfolane 3232.77
    2,2,4-trimethylpentane 312.16
    2-methyltetrahydrofuran 7221.07
    n-hexyl acetate 2506.13
    isooctane 322.1
    2-(2-butoxyethoxy)ethanol 894.26
    sec-butyl acetate 1281.74
    tert-butyl acetate 1578.68
    decalin 831.2
    glycerin 90.16
    diglyme 2374.87
    acrylic acid 379.42
    isopropyl myristate 978.17
    n-butyric acid 1183.94
    acetyl acetate 1366.44
    di(2-ethylhexyl) phthalate 385.41
    ethyl propionate 2077.43
    nitromethane 1722.15
    1,2-diethoxyethane 3943.5
    benzonitrile 1549.64
    trioctyl phosphate 415.48
    1-bromopropane 4686.33
    gamma-valerolactone 4968.66
    n-decanol 664.44
    triethyl phosphate 673.28
    4-methyl-2-pentanol 437.35
    propionitrile 2427.46
    vinylene carbonate 1975.76
    1,1,2-trichlorotrifluoroethane 779.44
    DMS 1383.67
    cumene 1009.37
    2-octanol 670.58
    2-hexanone 2496.72
    octyl acetate 1147.11
    limonene 2103.23
    1,2-dimethoxyethane 3622.52
    ethyl orthosilicate 712.09
    tributyl phosphate 534.96
    diacetone alcohol 880.57
    N,N-dimethylaniline 1219.68
    acrylonitrile 2156.17
    aniline 1410.86
    1,3-propanediol 384.21
    bromobenzene 3350.33
    dibromomethane 5596.33
    1,1,2,2-tetrachloroethane 3573.89
    2-methyl-cyclohexyl acetate 1325.9
    tetrabutyl urea 762.61
    diisobutyl methanol 851.35
    2-phenylethanol 1223.07
    styrene 2099.31
    dioctyl adipate 840.3
    dimethyl sulfate 1002.04
    ethyl butyrate 3605.94
    methyl lactate 354.44
    butyl lactate 549.55
    diethyl carbonate 1515.34
    propanediol butyl ether 418.37
    triethyl orthoformate 1564.05
    p-tert-butyltoluene 1080.71
    methyl 4-tert-butylbenzoate 820.68
    morpholine 6802.85
    tert-butylamine 768.43
    n-dodecanol 552.6
    dimethoxymethane 3887.94
    ethylene carbonate 2229.76
    cyrene 484.11
    2-ethoxyethyl acetate 1868.05
    2-ethylhexyl acetate 3633.15
    1,2,4-trichlorobenzene 1446.21
    4-methylpyridine 4337.26
    dibutyl ether 3326.78
    2,6-dimethyl-4-heptanol 851.35
    DEF 3184.36
    dimethyl isosorbide 1486.79
    tetrachloroethylene 2635.0
    eugenol 594.68
    triacetin 851.49
    span 80 531.58
    1,4-butanediol 161.99
    1,1-dichloroethane 4487.1
    2-methyl-1-pentanol 591.25
    methyl formate 1548.8
    2-methyl-1-butanol 736.11
    n-decane 795.01
    butyronitrile 2906.4
    3,7-dimethyl-1-octanol 782.88
    1-chlorooctane 1719.29
    1-chlorotetradecane 687.84
    n-nonane 978.24
    undecane 575.82
    tert-butylcyclohexane 676.57
    cyclooctane 1218.98
    cyclopentanol 1573.03
    tetrahydropyran 9932.98
    tert-amyl methyl ether 1586.18
    2,5,8-trioxanonane 1178.66
    1-hexene 3716.5
    2-isopropoxyethanol 617.21
    2,2,2-trifluoroethanol 155.26
    methyl butyrate 2689.06

    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

Botanical

Name CAS Botanical Proportion
Rhubarb root Rheum palmatum L., fam. Polygonaceae 0.01%