Benzene, tetraethyl-

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    33637-20-6

    Molecular formula
    C14H22

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

  • Odor profile

    Spicy 42.67%
    Herbal 41.09%
    Sweet 33.53%
    Earthy 32.04%
    Burnt 32.04%
    Phenolic 31.32%
    Woody 31.27%
    Musty 29.05%
    Leathery 26.31%
    Smoky 24.34%

    Scent© AI

  • Properties

    XLogP3-AA
    5.1

    Molecular weight
    190.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    242°C

    Flash point est.
    104.83 ˚C

  • Synonyms

    • 1,2,3,4-tetraethylbenzene
    • 642-32-0
    • Benzene, tetraethyl-
    • EINECS 251-611-6
    • 33637-20-6
    • AI3-09178
    • Benzene,1,2,3,4-tetraethyl-
    • NSC143561
    • 1,2,3,4-tetraethyl-benzene
    • DTXSID70982743
    • FEWANSQOXSIFOK-UHFFFAOYSA-N
    • AKOS006284420
    • NSC-143561
    • DS-006730
    • NS00059502

  • Applications

    Benzene, tetraethyl- (CAS 33637-20-6) is a tetra-alkylated aromatic used primarily as a research chemical and process model in catalysis and refining/petrochemical studies to probe transalkylation, hydrodealkylation, isomerization, and cracking of alkylbenzenes; it can also serve as an intermediate toward bulky aromatic derivatives, specialty oligomers/resins, or performance additives. Owing to its very low polarity, high boiling point, and thermal stability, it is employed as a nonpolar reaction medium/solvent in selective experiments, as a tracer or reference compound for GC retention-index calibration and for combustion/kinetic studies of aromatics, as well as in assessments of environmental fate and toxicity of long-chain alkylbenzenes; deployments are typically at laboratory or pilot scale under appropriate chemical safety and flammable hydrocarbon transport controls.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 396.4
    methanol 269.11
    isopropanol 404.57
    water 0.08
    ethyl acetate 2294.94
    n-propanol 547.11
    acetone 2549.24
    n-butanol 569.55
    acetonitrile 1285.61
    DMF 2734.94
    toluene 2835.13
    isobutanol 483.19
    1,4-dioxane 4508.57
    methyl acetate 1899.14
    THF 6353.76
    2-butanone 2095.96
    n-pentanol 468.98
    sec-butanol 478.22
    n-hexane 1328.45
    ethylene glycol 42.21
    NMP 3491.71
    cyclohexane 2428.37
    DMSO 1262.59
    n-butyl acetate 3602.28
    n-octanol 678.58
    chloroform 5953.52
    n-propyl acetate 1693.36
    acetic acid 407.14
    dichloromethane 7351.37
    cyclohexanone 5324.71
    propylene glycol 61.31
    isopropyl acetate 1487.56
    DMAc 1842.28
    2-ethoxyethanol 485.92
    isopentanol 515.41
    n-heptane 1415.27
    ethyl formate 1196.05
    1,2-dichloroethane 5894.98
    n-hexanol 1015.62
    2-methoxyethanol 625.67
    isobutyl acetate 1288.41
    tetrachloromethane 2289.31
    n-pentyl acetate 1919.89
    transcutol 1153.08
    n-heptanol 618.17
    ethylbenzene 1542.05
    MIBK 1287.32
    2-propoxyethanol 1086.14
    tert-butanol 585.26
    MTBE 1631.69
    2-butoxyethanol 668.29
    propionic acid 521.96
    o-xylene 1544.44
    formic acid 45.23
    diethyl ether 2818.2
    m-xylene 1733.74
    p-xylene 1981.28
    chlorobenzene 3276.02
    dimethyl carbonate 962.79
    n-octane 629.92
    formamide 137.05
    cyclopentanone 5615.98
    2-pentanone 2195.23
    anisole 1770.89
    cyclopentyl methyl ether 3847.19
    gamma-butyrolactone 4958.04
    1-methoxy-2-propanol 539.88
    pyridine 4068.98
    3-pentanone 2203.75
    furfural 2446.82
    n-dodecane 319.21
    diethylene glycol 334.12
    diisopropyl ether 1113.63
    tert-amyl alcohol 553.45
    acetylacetone 2101.81
    n-hexadecane 396.34
    acetophenone 1473.2
    methyl propionate 1847.7
    isopentyl acetate 2529.11
    trichloroethylene 7757.62
    n-nonanol 611.68
    cyclohexanol 1178.13
    benzyl alcohol 678.11
    2-ethylhexanol 1047.83
    isooctanol 527.2
    dipropyl ether 3072.16
    1,2-dichlorobenzene 3006.8
    ethyl lactate 382.37
    propylene carbonate 2546.26
    n-methylformamide 837.59
    2-pentanol 491.97
    n-pentane 859.67
    1-propoxy-2-propanol 991.58
    1-methoxy-2-propyl acetate 1706.09
    2-(2-methoxypropoxy) propanol 511.33
    mesitylene 1289.32
    ε-caprolactone 3313.42
    p-cymene 1270.74
    epichlorohydrin 4592.72
    1,1,1-trichloroethane 5375.45
    2-aminoethanol 105.33
    morpholine-4-carbaldehyde 2745.66
    sulfolane 4540.7
    2,2,4-trimethylpentane 334.51
    2-methyltetrahydrofuran 4786.25
    n-hexyl acetate 2177.58
    isooctane 313.78
    2-(2-butoxyethoxy)ethanol 654.68
    sec-butyl acetate 1103.17
    tert-butyl acetate 1589.14
    decalin 895.99
    glycerin 74.58
    diglyme 1747.96
    acrylic acid 397.12
    isopropyl myristate 1042.07
    n-butyric acid 901.73
    acetyl acetate 1279.19
    di(2-ethylhexyl) phthalate 552.76
    ethyl propionate 1613.01
    nitromethane 1244.39
    1,2-diethoxyethane 2236.29
    benzonitrile 1583.26
    trioctyl phosphate 542.05
    1-bromopropane 3654.15
    gamma-valerolactone 4068.15
    n-decanol 469.12
    triethyl phosphate 951.06
    4-methyl-2-pentanol 326.02
    propionitrile 1534.89
    vinylene carbonate 2062.47
    1,1,2-trichlorotrifluoroethane 1313.88
    DMS 1630.17
    cumene 960.01
    2-octanol 582.73
    2-hexanone 1766.19
    octyl acetate 1153.02
    limonene 1975.14
    1,2-dimethoxyethane 2246.12
    ethyl orthosilicate 904.45
    tributyl phosphate 702.99
    diacetone alcohol 807.97
    N,N-dimethylaniline 1332.65
    acrylonitrile 1463.22
    aniline 1245.23
    1,3-propanediol 200.46
    bromobenzene 4623.66
    dibromomethane 5280.09
    1,1,2,2-tetrachloroethane 5645.36
    2-methyl-cyclohexyl acetate 1582.7
    tetrabutyl urea 1026.65
    diisobutyl methanol 717.44
    2-phenylethanol 971.57
    styrene 1972.18
    dioctyl adipate 1148.85
    dimethyl sulfate 1283.21
    ethyl butyrate 2301.01
    methyl lactate 359.07
    butyl lactate 721.53
    diethyl carbonate 1394.04
    propanediol butyl ether 372.78
    triethyl orthoformate 1499.13
    p-tert-butyltoluene 1219.7
    methyl 4-tert-butylbenzoate 1161.13
    morpholine 3624.28
    tert-butylamine 547.87
    n-dodecanol 394.42
    dimethoxymethane 2501.24
    ethylene carbonate 2020.72
    cyrene 663.7
    2-ethoxyethyl acetate 1617.82
    2-ethylhexyl acetate 2559.32
    1,2,4-trichlorobenzene 2854.11
    4-methylpyridine 3533.4
    dibutyl ether 2208.05
    2,6-dimethyl-4-heptanol 717.44
    DEF 2568.07
    dimethyl isosorbide 1712.58
    tetrachloroethylene 4295.19
    eugenol 728.92
    triacetin 1149.1
    span 80 584.07
    1,4-butanediol 105.65
    1,1-dichloroethane 4327.97
    2-methyl-1-pentanol 467.64
    methyl formate 886.95
    2-methyl-1-butanol 521.53
    n-decane 589.27
    butyronitrile 1542.82
    3,7-dimethyl-1-octanol 601.14
    1-chlorooctane 1556.47
    1-chlorotetradecane 601.67
    n-nonane 681.04
    undecane 415.34
    tert-butylcyclohexane 694.11
    cyclooctane 1166.96
    cyclopentanol 1257.05
    tetrahydropyran 5390.44
    tert-amyl methyl ether 1321.8
    2,5,8-trioxanonane 1030.0
    1-hexene 2034.56
    2-isopropoxyethanol 432.55
    2,2,2-trifluoroethanol 173.94
    methyl butyrate 2080.85

    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%