Isodurene

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  • Identifiers

    CAS number
    527-53-7

    Molecular formula
    C10H14

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 49.33%
    Leathery 43.45%
    Phenolic 42.11%
    Spicy 38.63%
    Earthy 37.0%
    Animal 35.98%
    Herbal 33.76%
    Green 32.97%
    Musty 31.08%
    Smoky 31.03%

     

    Flavor
    Plastic 28.39%
    Phenolic 26.61%
    Camphor 24.09%
    Leather 23.51%
    Musty 23.35%
    Flat 22.72%
    Medicinal 22.66%
    Woody 22.63%
    Guaiacol 21.43%
    Soybean 20.73%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    8.26 (weak base)

    Molecular weight
    134.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • -10.6 °F (USCG, 1999)

    Boiling point

    • 388.4 °F at 760 mmHg (USCG, 1999)

    Flash point

    • 60.84 ˚C est.
    • 146 °F (USCG, 1999)

  • Synonyms

    • 1,2,3,5-TETRAMETHYLBENZENE
    • 527-53-7
    • Isodurene
    • Benzene, 1,2,3,5-tetramethyl-
    • 1,3,4,5-Tetramethylbenzene
    • NSC 8091
    • EINECS 208-417-1
    • 0JBI5Y5A5Z
    • CCRIS 8661
    • DTXSID6026119
    • Tetramethylbenzene, 1,2,3,5-
    • ISODURENE [MI]
    • NSC-8091
    • 1,2,3,5-tetramethyl-benzene
    • DTXCID706119
    • UNII-0JBI5Y5A5Z
    • MFCD00008524
    • 1,3,5-Tetramethylbenzene
    • 1,3,4,5Tetramethylbenzene
    • Benzene,2,3,5-tetramethyl-
    • Benzene, 1,2,3,5tetramethyl
    • CHEMBL1797133
    • NSC8091
    • Tox21_302230
    • 1,2,3,5-TETRAMETHLYBENZENE
    • AKOS009031098
    • BENZENE 1,2,3,5-TETRAMETHYL
    • NCGC00255396-01
    • 1,2,3,5-Tetramethylbenzene, AldrichCPR
    • BS-51250
    • CAS-527-53-7
    • CS-0453350
    • NS00009847
    • T0565
    • F21292
    • Q24819115
    • 208-417-1
    • Benzene, 1,2,3,5-tetramethyl-; 1,2,3,5-Tetramethylbenzene; 1,3,4,5-Tetramethylbenzene; Isodurene; NSC 8091

  • Applications

    Isodurene (CAS 527-53-7) is used primarily as an industrial chemical intermediate and solvent in organic synthesis. It serves as a building block for the development of other aromatic compounds, including dyes and pigments, and can function as a processing solvent or co-solvent for coatings, inks, and adhesives. In polymer and plastics manufacturing, it may be used as a feedstock to fabricate specialty monomers or polymer modifiers. It is also encountered as a component in formulation and processing streams where aromatic hydrocarbons are required, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 906.86
    methanol 861.11
    isopropanol 715.08
    water 1.18
    ethyl acetate 1683.75
    n-propanol 1005.2
    acetone 1413.21
    n-butanol 1068.49
    acetonitrile 1437.83
    DMF 1242.47
    toluene 1622.75
    isobutanol 723.48
    1,4-dioxane 3986.6
    methyl acetate 1286.94
    THF 4852.05
    2-butanone 1433.25
    n-pentanol 825.95
    sec-butanol 801.65
    n-hexane 2160.11
    ethylene glycol 80.99
    NMP 1477.31
    cyclohexane 1694.44
    DMSO 760.86
    n-butyl acetate 2188.87
    n-octanol 810.26
    chloroform 2908.95
    n-propyl acetate 1159.73
    acetic acid 356.75
    dichloromethane 2939.03
    cyclohexanone 2465.79
    propylene glycol 123.02
    isopropyl acetate 1169.68
    DMAc 871.92
    2-ethoxyethanol 799.33
    isopentanol 858.1
    n-heptane 1355.29
    ethyl formate 774.26
    1,2-dichloroethane 2248.89
    n-hexanol 1862.73
    2-methoxyethanol 888.93
    isobutyl acetate 856.44
    tetrachloromethane 1086.68
    n-pentyl acetate 1055.77
    transcutol 1551.57
    n-heptanol 785.52
    ethylbenzene 996.87
    MIBK 1064.4
    2-propoxyethanol 1908.04
    tert-butanol 962.48
    MTBE 2154.57
    2-butoxyethanol 845.66
    propionic acid 498.53
    o-xylene 897.42
    formic acid 89.86
    diethyl ether 3520.59
    m-xylene 1133.34
    p-xylene 1123.14
    chlorobenzene 1297.6
    dimethyl carbonate 527.1
    n-octane 542.32
    formamide 181.31
    cyclopentanone 2454.29
    2-pentanone 1570.13
    anisole 1340.59
    cyclopentyl methyl ether 3280.15
    gamma-butyrolactone 2151.61
    1-methoxy-2-propanol 851.31
    pyridine 1872.76
    3-pentanone 1446.87
    furfural 1199.81
    n-dodecane 287.39
    diethylene glycol 586.99
    diisopropyl ether 1479.19
    tert-amyl alcohol 915.0
    acetylacetone 1124.77
    n-hexadecane 333.98
    acetophenone 789.35
    methyl propionate 1261.34
    isopentyl acetate 1732.7
    trichloroethylene 2481.26
    n-nonanol 725.71
    cyclohexanol 1253.63
    benzyl alcohol 578.05
    2-ethylhexanol 1519.18
    isooctanol 661.78
    dipropyl ether 2969.53
    1,2-dichlorobenzene 1021.58
    ethyl lactate 302.96
    propylene carbonate 1055.59
    n-methylformamide 586.78
    2-pentanol 933.46
    n-pentane 1274.22
    1-propoxy-2-propanol 1432.68
    1-methoxy-2-propyl acetate 1241.45
    2-(2-methoxypropoxy) propanol 592.8
    mesitylene 798.46
    ε-caprolactone 1821.39
    p-cymene 685.72
    epichlorohydrin 2688.45
    1,1,1-trichloroethane 2203.54
    2-aminoethanol 213.47
    morpholine-4-carbaldehyde 1703.45
    sulfolane 1866.54
    2,2,4-trimethylpentane 472.44
    2-methyltetrahydrofuran 3760.1
    n-hexyl acetate 1458.76
    isooctane 435.97
    2-(2-butoxyethoxy)ethanol 858.35
    sec-butyl acetate 856.75
    tert-butyl acetate 1307.11
    decalin 767.73
    glycerin 139.51
    diglyme 1571.9
    acrylic acid 312.99
    isopropyl myristate 691.67
    n-butyric acid 859.89
    acetyl acetate 751.74
    di(2-ethylhexyl) phthalate 339.77
    ethyl propionate 1127.25
    nitromethane 879.23
    1,2-diethoxyethane 2091.38
    benzonitrile 821.61
    trioctyl phosphate 340.73
    1-bromopropane 2226.09
    gamma-valerolactone 2320.93
    n-decanol 575.33
    triethyl phosphate 531.03
    4-methyl-2-pentanol 576.98
    propionitrile 1444.05
    vinylene carbonate 896.15
    1,1,2-trichlorotrifluoroethane 707.34
    DMS 786.22
    cumene 700.52
    2-octanol 624.39
    2-hexanone 1393.34
    octyl acetate 794.65
    limonene 1211.78
    1,2-dimethoxyethane 2041.2
    ethyl orthosilicate 595.07
    tributyl phosphate 407.95
    diacetone alcohol 814.38
    N,N-dimethylaniline 911.44
    acrylonitrile 1130.07
    aniline 927.7
    1,3-propanediol 356.84
    bromobenzene 1556.69
    dibromomethane 2439.83
    1,1,2,2-tetrachloroethane 2048.91
    2-methyl-cyclohexyl acetate 1013.82
    tetrabutyl urea 528.04
    diisobutyl methanol 749.41
    2-phenylethanol 935.67
    styrene 1103.01
    dioctyl adipate 618.41
    dimethyl sulfate 572.34
    ethyl butyrate 1405.21
    methyl lactate 301.56
    butyl lactate 428.53
    diethyl carbonate 756.58
    propanediol butyl ether 409.92
    triethyl orthoformate 971.1
    p-tert-butyltoluene 707.1
    methyl 4-tert-butylbenzoate 707.86
    morpholine 3310.01
    tert-butylamine 957.1
    n-dodecanol 475.97
    dimethoxymethane 1684.22
    ethylene carbonate 961.44
    cyrene 501.45
    2-ethoxyethyl acetate 1007.85
    2-ethylhexyl acetate 1669.93
    1,2,4-trichlorobenzene 992.63
    4-methylpyridine 1970.49
    dibutyl ether 1878.56
    2,6-dimethyl-4-heptanol 749.41
    DEF 1600.8
    dimethyl isosorbide 1190.57
    tetrachloroethylene 1521.29
    eugenol 539.46
    triacetin 598.56
    span 80 568.67
    1,4-butanediol 177.85
    1,1-dichloroethane 2090.32
    2-methyl-1-pentanol 715.37
    methyl formate 537.34
    2-methyl-1-butanol 858.67
    n-decane 514.62
    butyronitrile 1528.47
    3,7-dimethyl-1-octanol 788.82
    1-chlorooctane 1102.73
    1-chlorotetradecane 479.74
    n-nonane 597.23
    undecane 368.41
    tert-butylcyclohexane 764.02
    cyclooctane 913.97
    cyclopentanol 1071.86
    tetrahydropyran 4309.17
    tert-amyl methyl ether 1750.48
    2,5,8-trioxanonane 991.07
    1-hexene 2819.88
    2-isopropoxyethanol 679.72
    2,2,2-trifluoroethanol 160.89
    methyl butyrate 1242.82

    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