Benzene, (1-methyldecyl)-

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  • Identifiers

    CAS number
    4536-88-3

    Molecular formula
    C17H28

    SMILES
    CCCCCCCCCC(C)C1=CC=CC=C1

    Safety labels

  • Odor profile

    Fragrance
    Waxy 60.46%
    Fatty 36.84%
    Oily 36.61%
    Herbal 26.68%
    Green 26.19%
    Sweet 25.46%
    Spicy 23.2%
    Balsamic 22.6%
    Gassy 22.05%
    Metallic 21.91%

     

    Flavor
    Alkane 31.71%
    Waxy 30.41%
    Delicate 21.35%
    Diterpene 20.32%
    Low 20.1%
    Slightly waxy 19.81%
    Mild 19.4%
    Incense 19.32%
    Terpentine 19.19%
    Oriental 19.02%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.4

    pKa est.
    8.06 (weak base)

    Molecular weight
    232.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    296°C

    Flash point

    • 136.59 ˚C est.

  • Synonyms

    • Benzene, (1-methyldecyl)-
    • undecan-2-ylbenzene
    • 4536-88-3
    • DTXSID60874981
    • 2Phenylundecane
    • RefChem:562073
    • DTXCID601013105
    • 2-PHENYLUNDECANE
    • Undecane, 2-phenyl-
    • (Undecan-2-yl)benzene
    • (1-Methyldecyl)benzene
    • Benzene,(1-methyldecyl)-
    • 2-phe-nylundecane
    • (1-methyldecyl)-Benzene
    • (1-Methyldecyl)benzene #
    • SCHEMBL508056
    • SCHEMBL983089
    • SCHEMBL20774452
    • SCHEMBL27654305
    • CHEBI:183285
    • NS00095866
    • 4536-88-3

  • Applications

    Benzene, (1-methyldecyl)- (CAS 4536-88-3) is used primarily as a non-polar solvent and processing aid in industrial manufacturing, including coatings, inks and adhesives, where its alkylbenzene structure helps dissolve hydrocarbon resins and pigments. It may also serve as a fragrance ingredient or odorant in perfumery and personal care formulations, contributing a woody/amber-like note at low concentrations. In polymer and plastics processing, it can act as a solvent for formulations and as a blending solvent for rubber and polymer systems. As an organic intermediate, it may participate in the synthesis of specialty chemicals. It may appear in household products such as cleaners and degreasers as a solvent, and in certain cleaning formulations where non-polar solvents are required. All uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2650.81
    methanol 860.64
    isopropanol 2859.96
    water 0.0
    ethyl acetate 11262.66
    n-propanol 3161.83
    acetone 11833.92
    n-butanol 3843.01
    acetonitrile 3012.54
    DMF 3889.63
    toluene 6322.23
    isobutanol 2636.28
    1,4-dioxane 12995.91
    methyl acetate 5724.78
    THF 20025.14
    2-butanone 10654.63
    n-pentanol 2339.27
    sec-butanol 3207.98
    n-hexane 6043.26
    ethylene glycol 41.46
    NMP 2699.0
    cyclohexane 9902.8
    DMSO 3667.24
    n-butyl acetate 17655.42
    n-octanol 1244.23
    chloroform 10511.48
    n-propyl acetate 7886.51
    acetic acid 734.77
    dichloromethane 14658.91
    cyclohexanone 13736.35
    propylene glycol 143.82
    isopropyl acetate 8067.61
    DMAc 3294.07
    2-ethoxyethanol 2073.44
    isopentanol 3922.4
    n-heptane 5111.31
    ethyl formate 2532.56
    1,2-dichloroethane 14386.66
    n-hexanol 4790.55
    2-methoxyethanol 2585.52
    isobutyl acetate 4793.83
    tetrachloromethane 2719.14
    n-pentyl acetate 5080.86
    transcutol 10745.55
    n-heptanol 1340.89
    ethylbenzene 2488.15
    MIBK 6436.57
    2-propoxyethanol 4466.93
    tert-butanol 4726.76
    MTBE 16522.41
    2-butoxyethanol 1896.97
    propionic acid 1094.84
    o-xylene 2401.09
    formic acid 33.71
    diethyl ether 25731.44
    m-xylene 2949.5
    p-xylene 2666.77
    chlorobenzene 4446.98
    dimethyl carbonate 1040.76
    n-octane 1150.13
    formamide 113.79
    cyclopentanone 9777.99
    2-pentanone 11888.43
    anisole 3749.9
    cyclopentyl methyl ether 11915.88
    gamma-butyrolactone 5911.15
    1-methoxy-2-propanol 2589.32
    pyridine 9132.88
    3-pentanone 8097.71
    furfural 2583.7
    n-dodecane 413.63
    diethylene glycol 746.04
    diisopropyl ether 7204.27
    tert-amyl alcohol 3756.69
    acetylacetone 6601.39
    n-hexadecane 522.8
    acetophenone 2280.44
    methyl propionate 5277.14
    isopentyl acetate 13231.64
    trichloroethylene 12553.64
    n-nonanol 1237.87
    cyclohexanol 4121.14
    benzyl alcohol 1158.35
    2-ethylhexanol 4771.82
    isooctanol 1452.14
    dipropyl ether 21609.02
    1,2-dichlorobenzene 3228.25
    ethyl lactate 737.29
    propylene carbonate 3175.78
    n-methylformamide 930.04
    2-pentanol 3710.17
    n-pentane 3788.62
    1-propoxy-2-propanol 5311.65
    1-methoxy-2-propyl acetate 7190.92
    2-(2-methoxypropoxy) propanol 1433.45
    mesitylene 1920.46
    ε-caprolactone 8110.97
    p-cymene 2055.13
    epichlorohydrin 10734.22
    1,1,1-trichloroethane 11308.7
    2-aminoethanol 226.88
    morpholine-4-carbaldehyde 3450.03
    sulfolane 4804.83
    2,2,4-trimethylpentane 1016.08
    2-methyltetrahydrofuran 18305.27
    n-hexyl acetate 4923.86
    isooctane 1000.68
    2-(2-butoxyethoxy)ethanol 2380.58
    sec-butyl acetate 5609.61
    tert-butyl acetate 8943.98
    decalin 1794.64
    glycerin 137.66
    diglyme 6626.28
    acrylic acid 438.45
    isopropyl myristate 1968.36
    n-butyric acid 3719.7
    acetyl acetate 3618.87
    di(2-ethylhexyl) phthalate 749.28
    ethyl propionate 6279.31
    nitromethane 2058.97
    1,2-diethoxyethane 18917.3
    benzonitrile 2117.31
    trioctyl phosphate 699.73
    1-bromopropane 15525.09
    gamma-valerolactone 8020.84
    n-decanol 884.54
    triethyl phosphate 1915.28
    4-methyl-2-pentanol 2068.98
    propionitrile 4269.17
    vinylene carbonate 2038.26
    1,1,2-trichlorotrifluoroethane 2128.14
    DMS 2205.74
    cumene 1347.66
    2-octanol 1093.22
    2-hexanone 7896.54
    octyl acetate 1949.46
    limonene 4869.08
    1,2-dimethoxyethane 9583.51
    ethyl orthosilicate 2273.82
    tributyl phosphate 1040.13
    diacetone alcohol 3666.91
    N,N-dimethylaniline 1897.78
    acrylonitrile 2512.05
    aniline 2915.53
    1,3-propanediol 729.5
    bromobenzene 6033.9
    dibromomethane 11678.76
    1,1,2,2-tetrachloroethane 10197.09
    2-methyl-cyclohexyl acetate 3804.18
    tetrabutyl urea 1422.59
    diisobutyl methanol 2848.57
    2-phenylethanol 1885.09
    styrene 3420.96
    dioctyl adipate 1973.92
    dimethyl sulfate 1131.92
    ethyl butyrate 12539.92
    methyl lactate 602.18
    butyl lactate 1526.58
    diethyl carbonate 4708.83
    propanediol butyl ether 774.11
    triethyl orthoformate 6108.0
    p-tert-butyltoluene 1941.49
    methyl 4-tert-butylbenzoate 1568.06
    morpholine 14456.91
    tert-butylamine 4584.45
    n-dodecanol 711.92
    dimethoxymethane 5998.49
    ethylene carbonate 2676.85
    cyrene 789.94
    2-ethoxyethyl acetate 5060.75
    2-ethylhexyl acetate 10944.19
    1,2,4-trichlorobenzene 3112.9
    4-methylpyridine 9267.26
    dibutyl ether 10767.99
    2,6-dimethyl-4-heptanol 2848.57
    DEF 8425.34
    dimethyl isosorbide 3089.47
    tetrachloroethylene 5881.89
    eugenol 1043.42
    triacetin 2187.59
    span 80 1295.69
    1,4-butanediol 206.09
    1,1-dichloroethane 12553.68
    2-methyl-1-pentanol 2482.87
    methyl formate 727.96
    2-methyl-1-butanol 3330.27
    n-decane 1007.13
    butyronitrile 6736.52
    3,7-dimethyl-1-octanol 2029.26
    1-chlorooctane 2870.86
    1-chlorotetradecane 854.92
    n-nonane 1206.35
    undecane 600.39
    tert-butylcyclohexane 1508.7
    cyclooctane 2719.84
    cyclopentanol 2716.28
    tetrahydropyran 28666.34
    tert-amyl methyl ether 8581.06
    2,5,8-trioxanonane 2887.15
    1-hexene 11699.55
    2-isopropoxyethanol 1936.1
    2,2,2-trifluoroethanol 131.74
    methyl butyrate 8202.61

    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