1,4-Dimethylnaphthalene

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  • Identifiers

    CAS number
    571-58-4

    Molecular formula
    C12H12

    SMILES
    CC1=CC=C(C2=CC=CC=C12)C

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • Carbowax: 1993.0

  • Odor profile

    Floral 54.57%
    Woody 46.06%
    Sweet 37.94%
    Green 37.52%
    Earthy 37.47%
    Animal 37.03%
    Phenolic 36.41%
    Leathery 34.58%
    Musty 33.11%
    Camphoreous 31.86%

    Scent© AI

  • Properties

    XLogP3-AA
    4.4

    Molecular weight
    156.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    263°C

    Flash point est.
    113.02 ˚C

  • Synonyms

    • 1,4-DIMETHYLNAPHTHALENE
    • 571-58-4
    • Naphthalene, 1,4-dimethyl-
    • 1,4-Dimethylnapthalene
    • UNII-BQH3S1I0SO
    • BQH3S1I0SO
    • EINECS 209-335-9
    • NSC 61779
    • EPA Pesticide Chemical Code 055802
    • DTXSID8035423
    • CHEBI:48609
    • 1,4-DMN
    • 1,4-dimethyl-naphthalene
    • MFCD00004037
    • NSC-61779
    • CHEMBL362076
    • DTXCID6015423
    • DIMETHYLNAPHTHALENE, 1,4-
    • NSC61779
    • 1,4Dimethylnapthalene
    • Naphthalene,4-dimethyl-
    • Naphthalene, 1,4dimethyl
    • 1,4-Dimethylnaphthalene, 95%
    • Naphthalene, 1,4dimethyl (8CI)
    • Naphthalene, 1,4-dimethyl-(8CI)
    • Tox21_300881
    • BDBM50167996
    • STL453638
    • XH1405
    • AKOS015842553
    • Naphthalene, 1,4dimethyl (8CI)(9CI)
    • NCGC00163993-01
    • NCGC00163993-02
    • NCGC00254785-01
    • AS-57958
    • CAS-571-58-4
    • Naphthalene, 1,4-dimethyl-(8CI)(9CI)
    • 1,4-Dimethylnaphthalene, analytical standard
    • CS-0204483
    • D1006
    • NS00020669
    • D89759
    • Q27121287
    • 209-335-9

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 106.39
    methanol 89.36
    isopropanol 88.15
    water 0.15
    ethyl acetate 768.98
    n-propanol 134.0
    acetone 811.59
    n-butanol 137.27
    acetonitrile 448.78
    DMF 1080.32
    toluene 833.53
    isobutanol 106.1
    1,4-dioxane 2343.05
    methyl acetate 721.74
    THF 2665.02
    2-butanone 741.73
    n-pentanol 141.12
    sec-butanol 106.64
    n-hexane 426.36
    ethylene glycol 15.99
    NMP 1159.11
    cyclohexane 397.84
    DMSO 571.61
    n-butyl acetate 1391.8
    n-octanol 193.71
    chloroform 1455.2
    n-propyl acetate 750.79
    acetic acid 96.67
    dichloromethane 2099.15
    cyclohexanone 1550.81
    propylene glycol 16.6
    isopropyl acetate 546.42
    DMAc 614.67
    2-ethoxyethanol 215.35
    isopentanol 132.04
    n-heptane 298.94
    ethyl formate 386.6
    1,2-dichloroethane 1925.54
    n-hexanol 305.24
    2-methoxyethanol 248.42
    isobutyl acetate 581.58
    tetrachloromethane 432.53
    n-pentyl acetate 587.49
    transcutol 601.2
    n-heptanol 167.36
    ethylbenzene 641.07
    MIBK 474.72
    2-propoxyethanol 448.06
    tert-butanol 140.16
    MTBE 474.31
    2-butoxyethanol 256.09
    propionic acid 140.94
    o-xylene 477.63
    formic acid 16.07
    diethyl ether 975.0
    m-xylene 546.97
    p-xylene 727.93
    chlorobenzene 756.64
    dimethyl carbonate 436.77
    n-octane 165.91
    formamide 56.41
    cyclopentanone 2036.92
    2-pentanone 746.11
    anisole 877.72
    cyclopentyl methyl ether 1470.33
    gamma-butyrolactone 1891.15
    1-methoxy-2-propanol 205.28
    pyridine 1314.68
    3-pentanone 773.0
    furfural 907.81
    n-dodecane 92.27
    diethylene glycol 153.69
    diisopropyl ether 401.14
    tert-amyl alcohol 139.42
    acetylacetone 829.83
    n-hexadecane 112.87
    acetophenone 614.8
    methyl propionate 658.87
    isopentyl acetate 904.65
    trichloroethylene 2318.62
    n-nonanol 183.5
    cyclohexanol 248.55
    benzyl alcohol 234.81
    2-ethylhexanol 309.43
    isooctanol 147.69
    dipropyl ether 1041.56
    1,2-dichlorobenzene 686.41
    ethyl lactate 161.83
    propylene carbonate 836.56
    n-methylformamide 320.13
    2-pentanol 126.55
    n-pentane 171.11
    1-propoxy-2-propanol 357.89
    1-methoxy-2-propyl acetate 711.99
    2-(2-methoxypropoxy) propanol 217.06
    mesitylene 391.93
    ε-caprolactone 1190.33
    p-cymene 335.12
    epichlorohydrin 2128.36
    1,1,1-trichloroethane 1342.22
    2-aminoethanol 33.29
    morpholine-4-carbaldehyde 1221.37
    sulfolane 1581.48
    2,2,4-trimethylpentane 80.85
    2-methyltetrahydrofuran 1718.87
    n-hexyl acetate 707.87
    isooctane 83.82
    2-(2-butoxyethoxy)ethanol 296.71
    sec-butyl acetate 523.54
    tert-butyl acetate 627.66
    decalin 268.79
    glycerin 28.36
    diglyme 829.66
    acrylic acid 114.37
    isopropyl myristate 342.99
    n-butyric acid 244.73
    acetyl acetate 493.85
    di(2-ethylhexyl) phthalate 165.69
    ethyl propionate 728.4
    nitromethane 478.07
    1,2-diethoxyethane 1077.09
    benzonitrile 472.53
    trioctyl phosphate 159.02
    1-bromopropane 1031.95
    gamma-valerolactone 1711.58
    n-decanol 152.54
    triethyl phosphate 340.26
    4-methyl-2-pentanol 98.04
    propionitrile 430.84
    vinylene carbonate 732.35
    1,1,2-trichlorotrifluoroethane 391.52
    DMS 735.41
    cumene 389.13
    2-octanol 153.49
    2-hexanone 755.79
    octyl acetate 388.74
    limonene 473.55
    1,2-dimethoxyethane 1116.54
    ethyl orthosilicate 330.11
    tributyl phosphate 219.44
    diacetone alcohol 313.66
    N,N-dimethylaniline 588.34
    acrylonitrile 479.83
    aniline 348.95
    1,3-propanediol 71.73
    bromobenzene 1064.87
    dibromomethane 1440.4
    1,1,2,2-tetrachloroethane 1481.29
    2-methyl-cyclohexyl acetate 547.31
    tetrabutyl urea 325.48
    diisobutyl methanol 212.71
    2-phenylethanol 350.74
    styrene 713.03
    dioctyl adipate 365.64
    dimethyl sulfate 556.84
    ethyl butyrate 883.22
    methyl lactate 137.47
    butyl lactate 211.58
    diethyl carbonate 524.74
    propanediol butyl ether 123.95
    triethyl orthoformate 509.54
    p-tert-butyltoluene 326.54
    methyl 4-tert-butylbenzoate 389.89
    morpholine 1470.69
    tert-butylamine 131.84
    n-dodecanol 130.8
    dimethoxymethane 957.61
    ethylene carbonate 729.42
    cyrene 265.61
    2-ethoxyethyl acetate 631.1
    2-ethylhexyl acetate 941.58
    1,2,4-trichlorobenzene 675.94
    4-methylpyridine 1185.38
    dibutyl ether 770.19
    2,6-dimethyl-4-heptanol 212.71
    DEF 941.36
    dimethyl isosorbide 706.4
    tetrachloroethylene 1073.45
    eugenol 301.65
    triacetin 409.32
    span 80 193.01
    1,4-butanediol 38.39
    1,1-dichloroethane 1152.96
    2-methyl-1-pentanol 140.44
    methyl formate 356.34
    2-methyl-1-butanol 129.95
    n-decane 163.04
    butyronitrile 413.73
    3,7-dimethyl-1-octanol 184.9
    1-chlorooctane 423.84
    1-chlorotetradecane 177.9
    n-nonane 183.25
    undecane 119.83
    tert-butylcyclohexane 231.01
    cyclooctane 236.92
    cyclopentanol 294.72
    tetrahydropyran 1825.54
    tert-amyl methyl ether 421.14
    2,5,8-trioxanonane 488.16
    1-hexene 707.44
    2-isopropoxyethanol 201.66
    2,2,2-trifluoroethanol 62.16
    methyl butyrate 854.73

    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
Artemisia variabilis (Italy) Artemisia variabilis Ten., fam. Asteraceae (Compositae) 0.3%
Artemisia campestris, ssp. glutinosa (Italy) Artemisia campestris L. ssp. glutinosa (Ten.) Briq. et Cavill., Asteraceae 0.05%