Triethylbenzene

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  • Identifiers

    CAS number
    42205-08-3

    Molecular formula
    C12H18

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

  • Odor profile

    Herbal 44.09%
    Spicy 42.55%
    Earthy 34.31%
    Woody 32.97%
    Sweet 32.81%
    Phenolic 31.74%
    Burnt 30.35%
    Musty 28.3%
    Green 27.98%
    Citrus 27.92%

    Scent© AI

  • Properties

    XLogP3-AA
    4.5

    Molecular weight
    162.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point

    • 421 °F at 760 mmHg (USCG, 1999)

    Flash point est.
    83.87 ˚C

    Flash point expt.

    • 181 °F (USCG, 1999)

    Solubility expt.

    • INSOL IN WATER; SOL IN ALC, ETHER

  • Synonyms

    • 1,2,3-TRIETHYLBENZENE
    • TRIETHYLBENZENE
    • Benzene, 1,2,3-triethyl
    • 42205-08-3
    • SYM-TRIETHYLBENZENE
    • DTXSID9027867
    • HSDB 5174
    • DTXSID30195034
    • Benzene, triethyl-(mixed isomers)
    • TRIETHYLBENZENE (mixed isomers)
    • EINECS 246-875-4
    • NS00049744
    • 246-875-4

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 930.17
    methanol 703.4
    isopropanol 748.69
    water 0.15
    ethyl acetate 2670.9
    n-propanol 954.68
    acetone 3457.36
    n-butanol 950.12
    acetonitrile 2488.04
    DMF 3007.11
    toluene 2773.37
    isobutanol 740.04
    1,4-dioxane 5895.27
    methyl acetate 2351.07
    THF 6986.48
    2-butanone 2700.72
    n-pentanol 724.21
    sec-butanol 713.41
    n-hexane 1364.37
    ethylene glycol 80.48
    NMP 3053.19
    cyclohexane 2369.1
    DMSO 2169.7
    n-butyl acetate 5030.92
    n-octanol 935.57
    chloroform 6990.12
    n-propyl acetate 2052.4
    acetic acid 587.99
    dichloromethane 9604.08
    cyclohexanone 5672.08
    propylene glycol 106.53
    isopropyl acetate 1506.77
    DMAc 1566.72
    2-ethoxyethanol 748.55
    isopentanol 751.78
    n-heptane 1768.0
    ethyl formate 1772.47
    1,2-dichloroethane 7074.84
    n-hexanol 1681.83
    2-methoxyethanol 1061.28
    isobutyl acetate 1329.61
    tetrachloromethane 2288.75
    n-pentyl acetate 1992.5
    transcutol 1750.63
    n-heptanol 833.65
    ethylbenzene 1480.79
    MIBK 1454.86
    2-propoxyethanol 1675.76
    tert-butanol 943.95
    MTBE 2079.59
    2-butoxyethanol 861.95
    propionic acid 718.58
    o-xylene 1307.99
    formic acid 79.87
    diethyl ether 3885.81
    m-xylene 1606.78
    p-xylene 1661.08
    chlorobenzene 3581.45
    dimethyl carbonate 890.28
    n-octane 665.74
    formamide 220.42
    cyclopentanone 5432.82
    2-pentanone 2608.45
    anisole 1871.84
    cyclopentyl methyl ether 3742.4
    gamma-butyrolactone 4964.2
    1-methoxy-2-propanol 833.07
    pyridine 4734.27
    3-pentanone 2349.69
    furfural 2664.86
    n-dodecane 399.01
    diethylene glycol 565.91
    diisopropyl ether 1135.72
    tert-amyl alcohol 738.91
    acetylacetone 2162.74
    n-hexadecane 476.45
    acetophenone 1345.48
    methyl propionate 1961.95
    isopentyl acetate 2973.93
    trichloroethylene 8510.01
    n-nonanol 807.38
    cyclohexanol 1494.83
    benzyl alcohol 757.88
    2-ethylhexanol 1466.39
    isooctanol 685.57
    dipropyl ether 4005.15
    1,2-dichlorobenzene 2866.54
    ethyl lactate 434.73
    propylene carbonate 2594.49
    n-methylformamide 1255.91
    2-pentanol 714.9
    n-pentane 987.43
    1-propoxy-2-propanol 1414.54
    1-methoxy-2-propyl acetate 1913.31
    2-(2-methoxypropoxy) propanol 625.14
    mesitylene 1130.55
    ε-caprolactone 3489.58
    p-cymene 1234.4
    epichlorohydrin 5733.13
    1,1,1-trichloroethane 5519.9
    2-aminoethanol 187.82
    morpholine-4-carbaldehyde 2905.88
    sulfolane 4352.86
    2,2,4-trimethylpentane 338.81
    2-methyltetrahydrofuran 5168.0
    n-hexyl acetate 2354.08
    isooctane 338.9
    2-(2-butoxyethoxy)ethanol 904.1
    sec-butyl acetate 1102.26
    tert-butyl acetate 1547.91
    decalin 818.32
    glycerin 130.84
    diglyme 2230.02
    acrylic acid 511.29
    isopropyl myristate 1047.36
    n-butyric acid 1213.25
    acetyl acetate 1314.47
    di(2-ethylhexyl) phthalate 533.58
    ethyl propionate 1701.17
    nitromethane 1793.46
    1,2-diethoxyethane 3021.05
    benzonitrile 1913.48
    trioctyl phosphate 560.27
    1-bromopropane 4459.42
    gamma-valerolactone 4591.06
    n-decanol 622.77
    triethyl phosphate 872.68
    4-methyl-2-pentanol 425.43
    propionitrile 2304.72
    vinylene carbonate 2273.5
    1,1,2-trichlorotrifluoroethane 1402.19
    DMS 1343.59
    cumene 884.36
    2-octanol 718.75
    2-hexanone 2122.8
    octyl acetate 1200.18
    limonene 1999.18
    1,2-dimethoxyethane 2972.07
    ethyl orthosilicate 838.3
    tributyl phosphate 685.36
    diacetone alcohol 915.83
    N,N-dimethylaniline 1187.85
    acrylonitrile 2193.23
    aniline 1394.45
    1,3-propanediol 379.61
    bromobenzene 4855.83
    dibromomethane 6990.55
    1,1,2,2-tetrachloroethane 5715.4
    2-methyl-cyclohexyl acetate 1504.7
    tetrabutyl urea 982.03
    diisobutyl methanol 834.63
    2-phenylethanol 1172.5
    styrene 1981.51
    dioctyl adipate 1150.32
    dimethyl sulfate 1138.65
    ethyl butyrate 2721.19
    methyl lactate 390.28
    butyl lactate 725.96
    diethyl carbonate 1440.91
    propanediol butyl ether 506.87
    triethyl orthoformate 1541.38
    p-tert-butyltoluene 1151.96
    methyl 4-tert-butylbenzoate 1084.77
    morpholine 4686.82
    tert-butylamine 817.21
    n-dodecanol 518.22
    dimethoxymethane 2903.85
    ethylene carbonate 2238.67
    cyrene 619.14
    2-ethoxyethyl acetate 1734.92
    2-ethylhexyl acetate 2861.36
    1,2,4-trichlorobenzene 2470.27
    4-methylpyridine 4026.24
    dibutyl ether 2628.99
    2,6-dimethyl-4-heptanol 834.63
    DEF 2641.28
    dimethyl isosorbide 1652.58
    tetrachloroethylene 4289.59
    eugenol 745.02
    triacetin 1073.18
    span 80 677.91
    1,4-butanediol 174.5
    1,1-dichloroethane 5425.36
    2-methyl-1-pentanol 618.8
    methyl formate 1316.98
    2-methyl-1-butanol 729.49
    n-decane 706.29
    butyronitrile 2457.36
    3,7-dimethyl-1-octanol 792.88
    1-chlorooctane 1740.82
    1-chlorotetradecane 673.97
    n-nonane 820.54
    undecane 513.16
    tert-butylcyclohexane 659.22
    cyclooctane 983.75
    cyclopentanol 1568.03
    tetrahydropyran 6844.89
    tert-amyl methyl ether 1399.15
    2,5,8-trioxanonane 1249.32
    1-hexene 2390.09
    2-isopropoxyethanol 593.71
    2,2,2-trifluoroethanol 208.0
    methyl butyrate 2278.67

    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