Benzene, (1-ethylundecyl)-

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  • Identifiers

    CAS number
    4534-52-5

    Molecular formula
    C19H32

    SMILES
    CCCCCCCCCCC(CC)C1=CC=CC=C1

    Safety labels

  • Odor profile

    Fragrance
    Waxy 69.34%
    Fatty 44.17%
    Oily 40.0%
    Sweet 23.58%
    Balsamic 22.89%
    Fishy 20.43%
    Green 20.29%
    Burnt 20.24%
    Meaty 19.11%
    Metallic 18.88%

     

    Flavor
    Alkane 36.31%
    Waxy 35.76%
    Mild 22.59%
    Delicate 21.22%
    Slightly waxy 20.39%
    Diterpene 20.32%
    Low 20.14%
    Incense 19.51%
    Citrus peel 19.27%
    Oriental 19.13%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.5

    pKa est.
    7.83 (neutral)

    Molecular weight
    260.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    322°C

    Flash point

    • 150.46 ˚C est.

  • Synonyms

    • 3-Phenyltridecane
    • 4534-52-5
    • tridecan-3-ylbenzene
    • Benzene, (1-ethylundecyl)-
    • Tridecane, 3-phenyl-
    • DTXSID10875201
    • RefChem:117263
    • DTXCID401013323
    • VZZMNLVGDGMQQV-UHFFFAOYSA-N
    • (Tridecan-3-yl)benzene
    • 1-ethylundecylbenzene
    • (1-ETHYLUNDECYL)BENZENE
    • (1-Ethylundecyl)benzene #
    • SCHEMBL3207368
    • SCHEMBL28608609
    • NS00095917
    • F88024
    • 4534-52-5

  • Applications

    Benzene, (1-ethylundecyl)- (CAS 4534-52-5) is an alkylbenzene with a long hydrophobic side chain commonly evaluated as a fragrance ingredient and fixative in perfumery and cosmetics. It can act as a solvent or carrier in personal care and household products. As an industrial intermediate, it participates in the synthesis of specialty chemicals and can serve as a precursor for detergent additives and plastics or coatings formulations. It may also be used as a solvent in coatings and inks applications, subject to formulation constraints and regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2662.14
    methanol 819.38
    isopropanol 3074.39
    water 0.0
    ethyl acetate 12170.58
    n-propanol 3414.15
    acetone 14918.54
    n-butanol 4093.53
    acetonitrile 2968.97
    DMF 5195.87
    toluene 7045.23
    isobutanol 3017.97
    1,4-dioxane 14305.82
    methyl acetate 6250.58
    THF 24595.24
    2-butanone 12139.55
    n-pentanol 2393.07
    sec-butanol 3425.99
    n-hexane 6051.42
    ethylene glycol 41.02
    NMP 4084.58
    cyclohexane 12780.61
    DMSO 4666.66
    n-butyl acetate 17493.26
    n-octanol 1390.85
    chloroform 12116.1
    n-propyl acetate 8875.89
    acetic acid 841.1
    dichloromethane 17346.56
    cyclohexanone 18507.53
    propylene glycol 142.13
    isopropyl acetate 9205.6
    DMAc 4308.22
    2-ethoxyethanol 2178.17
    isopentanol 4281.57
    n-heptane 5711.1
    ethyl formate 2999.7
    1,2-dichloroethane 17658.93
    n-hexanol 4432.98
    2-methoxyethanol 2814.4
    isobutyl acetate 5559.82
    tetrachloromethane 3596.59
    n-pentyl acetate 6416.35
    transcutol 10508.89
    n-heptanol 1454.42
    ethylbenzene 2639.37
    MIBK 7629.53
    2-propoxyethanol 4287.74
    tert-butanol 5098.03
    MTBE 16503.84
    2-butoxyethanol 2091.11
    propionic acid 1251.05
    o-xylene 2736.22
    formic acid 36.73
    diethyl ether 26370.14
    m-xylene 3251.85
    p-xylene 3026.91
    chlorobenzene 5458.32
    dimethyl carbonate 1341.16
    n-octane 1350.9
    formamide 131.86
    cyclopentanone 13942.47
    2-pentanone 14241.04
    anisole 4097.2
    cyclopentyl methyl ether 14587.38
    gamma-butyrolactone 8171.53
    1-methoxy-2-propanol 2833.89
    pyridine 10630.16
    3-pentanone 9616.31
    furfural 3404.84
    n-dodecane 463.13
    diethylene glycol 710.64
    diisopropyl ether 7740.88
    tert-amyl alcohol 3969.41
    acetylacetone 8178.44
    n-hexadecane 589.36
    acetophenone 2867.53
    methyl propionate 6175.7
    isopentyl acetate 13792.98
    trichloroethylene 15393.24
    n-nonanol 1399.17
    cyclohexanol 5093.5
    benzyl alcohol 1295.82
    2-ethylhexanol 4707.81
    isooctanol 1658.92
    dipropyl ether 22886.53
    1,2-dichlorobenzene 4131.54
    ethyl lactate 900.73
    propylene carbonate 4207.17
    n-methylformamide 1188.16
    2-pentanol 3992.17
    n-pentane 4196.43
    1-propoxy-2-propanol 5138.35
    1-methoxy-2-propyl acetate 7791.71
    2-(2-methoxypropoxy) propanol 1545.03
    mesitylene 2218.61
    ε-caprolactone 10185.78
    p-cymene 2295.62
    epichlorohydrin 12938.34
    1,1,1-trichloroethane 14327.66
    2-aminoethanol 226.3
    morpholine-4-carbaldehyde 4283.07
    sulfolane 6865.37
    2,2,4-trimethylpentane 1138.89
    2-methyltetrahydrofuran 21845.17
    n-hexyl acetate 5871.08
    isooctane 1081.14
    2-(2-butoxyethoxy)ethanol 2529.71
    sec-butyl acetate 6264.88
    tert-butyl acetate 10526.66
    decalin 2049.03
    glycerin 142.83
    diglyme 7381.26
    acrylic acid 512.81
    isopropyl myristate 2313.21
    n-butyric acid 4369.27
    acetyl acetate 4218.14
    di(2-ethylhexyl) phthalate 861.58
    ethyl propionate 7262.28
    nitromethane 2532.94
    1,2-diethoxyethane 18555.73
    benzonitrile 2446.33
    trioctyl phosphate 837.94
    1-bromopropane 17952.48
    gamma-valerolactone 10544.21
    n-decanol 996.12
    triethyl phosphate 2310.73
    4-methyl-2-pentanol 2184.68
    propionitrile 4408.34
    vinylene carbonate 2600.71
    1,1,2-trichlorotrifluoroethane 2654.56
    DMS 2652.46
    cumene 1512.96
    2-octanol 1290.07
    2-hexanone 8696.67
    octyl acetate 2320.06
    limonene 5497.52
    1,2-dimethoxyethane 10517.13
    ethyl orthosilicate 2659.94
    tributyl phosphate 1225.33
    diacetone alcohol 4286.08
    N,N-dimethylaniline 2194.35
    acrylonitrile 2673.25
    aniline 3303.16
    1,3-propanediol 795.81
    bromobenzene 7393.68
    dibromomethane 13889.79
    1,1,2,2-tetrachloroethane 12960.99
    2-methyl-cyclohexyl acetate 4320.6
    tetrabutyl urea 1777.0
    diisobutyl methanol 3137.68
    2-phenylethanol 1860.67
    styrene 3643.65
    dioctyl adipate 2375.67
    dimethyl sulfate 1559.65
    ethyl butyrate 13491.36
    methyl lactate 738.6
    butyl lactate 1866.97
    diethyl carbonate 5164.0
    propanediol butyl ether 873.28
    triethyl orthoformate 6842.5
    p-tert-butyltoluene 2146.87
    methyl 4-tert-butylbenzoate 2047.41
    morpholine 16122.32
    tert-butylamine 4744.11
    n-dodecanol 793.49
    dimethoxymethane 7108.98
    ethylene carbonate 3474.45
    cyrene 973.96
    2-ethoxyethyl acetate 5969.99
    2-ethylhexyl acetate 11446.21
    1,2,4-trichlorobenzene 4062.82
    4-methylpyridine 10363.94
    dibutyl ether 11649.36
    2,6-dimethyl-4-heptanol 3137.68
    DEF 10406.19
    dimethyl isosorbide 3461.99
    tetrachloroethylene 7424.12
    eugenol 1245.36
    triacetin 2808.56
    span 80 1453.34
    1,4-butanediol 219.03
    1,1-dichloroethane 15467.0
    2-methyl-1-pentanol 2531.07
    methyl formate 936.15
    2-methyl-1-butanol 3657.02
    n-decane 1147.37
    butyronitrile 7051.99
    3,7-dimethyl-1-octanol 2291.02
    1-chlorooctane 3320.47
    1-chlorotetradecane 984.36
    n-nonane 1374.74
    undecane 680.09
    tert-butylcyclohexane 1637.41
    cyclooctane 3350.03
    cyclopentanol 3606.31
    tetrahydropyran 33510.25
    tert-amyl methyl ether 9031.95
    2,5,8-trioxanonane 3162.58
    1-hexene 11016.33
    2-isopropoxyethanol 2008.17
    2,2,2-trifluoroethanol 180.51
    methyl butyrate 9331.89

    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