Benzene, 1-ethyl-3,5-bis(1-methylethyl)-

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  • Identifiers

    CAS number
    15181-13-2

    Molecular formula
    C14H22

    SMILES
    CCC1=CC(=CC(=C1)C(C)C)C(C)C

  • Odor profile

    Fragrance
    Herbal 58.92%
    Spicy 55.15%
    Woody 52.11%
    Green 51.04%
    Earthy 42.05%
    Fresh 34.23%
    Phenolic 34.21%
    Terpenic 32.12%
    Burnt 30.53%
    Citrus 30.28%

     

    Flavor
    Woody 44.55%
    Spice 33.16%
    Wood 27.37%
    Herbal 25.36%
    Citrus 24.95%
    Terpene 24.61%
    Herb 23.51%
    Camphor 23.42%
    Spicy 22.89%
    Thymol 21.71%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    9.14 (weak base)

    Molecular weight
    190.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    229°C

    Flash point

    • 91.68 ˚C est.

  • Synonyms

    • 1-Ethyl-3,5-diisopropylbenzene
    • 15181-13-2
    • 1-ethyl-3,5-di(propan-2-yl)benzene
    • 1,3-DI-ISO-PROPYL-5-ETHYLBENZENE
    • Benzene, 1,3-diisopropyl-5-ethyl-
    • Benzene, 1-ethyl-3,5-bis(1-methylethyl)-
    • 1-Ethyl-3,5-diisopropyl-benzene
    • Benzene, 1-ethyl-3,5-diisopropyl-
    • DTXSID4065864
    • CHEBI:89915
    • 1-Ethyl-3,5-diisopropylbenzene #
    • AKOS006272394
    • 568KS5X838
    • 1-Ethyl-3,5-bis(1-methylethyl)benzene
    • Q27162099

  • Applications

    Benzene, 1-ethyl-3,5-bis(1-methylethyl)- (CAS 15181-13-2) is used as an intermediate and solvent in the production of specialty chemicals; in perfumery it can act as an odorant or fixative component; it is considered a raw material for the synthesis of polymer and plastic additives; in coatings and inks it serves as a solvent or processing aid; and in industrial manufacturing and cleaning formulations it functions as a hydrocarbon solvent, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 112.64
    methanol 27.05
    isopropanol 166.37
    water 0.01
    ethyl acetate 492.94
    n-propanol 166.4
    acetone 637.78
    n-butanol 209.66
    acetonitrile 188.87
    DMF 535.99
    toluene 709.2
    isobutanol 179.67
    1,4-dioxane 882.14
    methyl acetate 435.74
    THF 1927.67
    2-butanone 707.99
    n-pentanol 197.11
    sec-butanol 225.71
    n-hexane 491.07
    ethylene glycol 8.19
    NMP 723.97
    cyclohexane 573.72
    DMSO 280.76
    n-butyl acetate 1244.5
    n-octanol 324.52
    chloroform 1379.34
    n-propyl acetate 476.54
    acetic acid 77.02
    dichloromethane 1273.56
    cyclohexanone 1280.17
    propylene glycol 30.24
    isopropyl acetate 413.65
    DMAc 565.55
    2-ethoxyethanol 141.06
    isopentanol 254.79
    n-heptane 689.98
    ethyl formate 253.57
    1,2-dichloroethane 863.94
    n-hexanol 537.73
    2-methoxyethanol 148.99
    isobutyl acetate 459.9
    tetrachloromethane 308.85
    n-pentyl acetate 546.56
    transcutol 470.91
    n-heptanol 281.61
    ethylbenzene 530.68
    MIBK 424.92
    2-propoxyethanol 368.88
    tert-butanol 311.81
    MTBE 684.64
    2-butoxyethanol 252.48
    propionic acid 123.88
    o-xylene 464.56
    formic acid 4.23
    diethyl ether 577.73
    m-xylene 496.34
    p-xylene 674.03
    chlorobenzene 724.14
    dimethyl carbonate 155.18
    n-octane 250.42
    formamide 14.26
    cyclopentanone 1473.26
    2-pentanone 636.64
    anisole 567.65
    cyclopentyl methyl ether 888.79
    gamma-butyrolactone 1033.33
    1-methoxy-2-propanol 192.45
    pyridine 895.75
    3-pentanone 549.36
    furfural 585.93
    n-dodecane 168.6
    diethylene glycol 91.15
    diisopropyl ether 318.64
    tert-amyl alcohol 332.14
    acetylacetone 573.04
    n-hexadecane 199.92
    acetophenone 482.56
    methyl propionate 380.87
    isopentyl acetate 1050.02
    trichloroethylene 1453.66
    n-nonanol 307.53
    cyclohexanol 366.03
    benzyl alcohol 254.29
    2-ethylhexanol 591.45
    isooctanol 251.79
    dipropyl ether 1037.62
    1,2-dichlorobenzene 611.28
    ethyl lactate 134.4
    propylene carbonate 651.79
    n-methylformamide 107.37
    2-pentanol 234.24
    n-pentane 279.49
    1-propoxy-2-propanol 458.57
    1-methoxy-2-propyl acetate 615.99
    2-(2-methoxypropoxy) propanol 292.19
    mesitylene 375.49
    ε-caprolactone 838.73
    p-cymene 540.72
    epichlorohydrin 1075.97
    1,1,1-trichloroethane 1078.9
    2-aminoethanol 25.62
    morpholine-4-carbaldehyde 559.77
    sulfolane 952.47
    2,2,4-trimethylpentane 147.26
    2-methyltetrahydrofuran 1352.41
    n-hexyl acetate 748.52
    isooctane 129.75
    2-(2-butoxyethoxy)ethanol 327.97
    sec-butyl acetate 383.52
    tert-butyl acetate 507.56
    decalin 322.04
    glycerin 27.11
    diglyme 633.95
    acrylic acid 81.44
    isopropyl myristate 422.97
    n-butyric acid 258.05
    acetyl acetate 304.38
    di(2-ethylhexyl) phthalate 266.49
    ethyl propionate 413.66
    nitromethane 195.12
    1,2-diethoxyethane 665.0
    benzonitrile 434.43
    trioctyl phosphate 230.7
    1-bromopropane 913.66
    gamma-valerolactone 1036.97
    n-decanol 259.18
    triethyl phosphate 306.34
    4-methyl-2-pentanol 183.69
    propionitrile 284.05
    vinylene carbonate 445.44
    1,1,2-trichlorotrifluoroethane 307.02
    DMS 398.04
    cumene 387.47
    2-octanol 266.28
    2-hexanone 624.03
    octyl acetate 467.75
    limonene 753.6
    1,2-dimethoxyethane 620.92
    ethyl orthosilicate 314.07
    tributyl phosphate 253.86
    diacetone alcohol 351.26
    N,N-dimethylaniline 463.2
    acrylonitrile 237.5
    aniline 355.82
    1,3-propanediol 62.24
    bromobenzene 1015.22
    dibromomethane 1074.38
    1,1,2,2-tetrachloroethane 1152.95
    2-methyl-cyclohexyl acetate 637.9
    tetrabutyl urea 366.03
    diisobutyl methanol 370.29
    2-phenylethanol 439.85
    styrene 576.74
    dioctyl adipate 483.24
    dimethyl sulfate 215.72
    ethyl butyrate 775.3
    methyl lactate 102.96
    butyl lactate 266.7
    diethyl carbonate 444.43
    propanediol butyl ether 193.04
    triethyl orthoformate 516.07
    p-tert-butyltoluene 541.24
    methyl 4-tert-butylbenzoate 452.11
    morpholine 801.45
    tert-butylamine 277.13
    n-dodecanol 230.13
    dimethoxymethane 386.59
    ethylene carbonate 422.17
    cyrene 306.15
    2-ethoxyethyl acetate 489.41
    2-ethylhexyl acetate 990.23
    1,2,4-trichlorobenzene 681.71
    4-methylpyridine 1003.31
    dibutyl ether 813.73
    2,6-dimethyl-4-heptanol 370.29
    DEF 540.15
    dimethyl isosorbide 724.63
    tetrachloroethylene 590.29
    eugenol 308.03
    triacetin 411.81
    span 80 348.79
    1,4-butanediol 34.95
    1,1-dichloroethane 937.07
    2-methyl-1-pentanol 252.99
    methyl formate 120.93
    2-methyl-1-butanol 240.74
    n-decane 260.3
    butyronitrile 426.6
    3,7-dimethyl-1-octanol 349.12
    1-chlorooctane 583.36
    1-chlorotetradecane 279.76
    n-nonane 291.93
    undecane 202.79
    tert-butylcyclohexane 293.84
    cyclooctane 308.71
    cyclopentanol 377.95
    tetrahydropyran 1376.6
    tert-amyl methyl ether 552.42
    2,5,8-trioxanonane 444.88
    1-hexene 798.93
    2-isopropoxyethanol 172.65
    2,2,2-trifluoroethanol 27.93
    methyl butyrate 565.88

    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 monosperma Artemisia monosperma Del., fam. Asteraceae (Compositae) 2.0%