4-Ethyltoluene

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  • Identifiers

    CAS number
    622-96-8

    Molecular formula
    C9H12

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

    Safety labels

    Flammable
    Flammable

    Health Hazard
    Health

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • Carbowax: 1226.0

  • Odor profile

    Sweet 44.53%
    Woody 39.07%
    Herbal 34.27%
    Phenolic 33.79%
    Spicy 33.59%
    Gassy 33.19%
    Citrus 32.43%
    Green 31.49%
    Earthy 30.5%
    Fresh 30.11%

    Scent© AI

  • Properties

    XLogP3-AA
    3.6

    Molecular weight
    120.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    160°C

    Flash point est.
    41.26 ˚C

  • Synonyms

    • 4-Ethyltoluene
    • 1-Ethyl-4-methylbenzene
    • 622-96-8
    • P-ETHYLTOLUENE
    • Benzene, 1-ethyl-4-methyl-
    • Toluene, p-ethyl-
    • 4-Methylethylbenzene
    • p-Ethylmethylbenzene
    • p-Methylethylbenzene
    • 1-Methyl-4-ethylbenzene
    • para-Ethyltoluene
    • Ethyltoluene, p-
    • 1-Ethyl-4-methyl-benzene
    • NSC 74177
    • EINECS 210-761-2
    • G6JY83VLB5
    • CCRIS 8525
    • DTXSID9029194
    • AI3-28772
    • 1,4-methylethylbenzene
    • MFCD00009263
    • NSC-74177
    • UNII-G6JY83VLB5
    • Benzene, 1-methyl-4-ethyl-
    • CHEMBL195384
    • DTXCID409194
    • pEthyltoluene
    • p-ethyl toluene
    • Toluene, pethyl
    • pEthylmethylbenzene
    • pMethylethylbenzene
    • 4Methylethylbenzene
    • 1Ethyl4methylbenzene
    • 1Methyl4ethylbenzene
    • Benzene, 1ethyl4methyl
    • 4-ethyl-1-methylbenzene
    • 4-Ethyltoluene 100 microg/mL in Methanol
    • para-ethyl-methyl-benzene
    • WLN: 2R D1
    • 1-ETHYL 4-METHYL BENZENE
    • NSC74177
    • Tox21_200472
    • BDBM50167943
    • 4-Ethyltoluene, >=95.0% (GC)
    • AKOS015889277
    • 4-Ethyltoluene, technical grade, 90%
    • NCGC00248643-01
    • NCGC00258026-01
    • AC-22323
    • CAS-622-96-8
    • SY035727
    • DB-073085
    • E0186
    • NS00002700
    • A26230
    • EN300-220464
    • F14879
    • Q24300547
    • Z1255434762

  • Applications

    4‑Ethyltoluene (p‑ethyltoluene, CAS 622‑96‑8) is used mainly as a para‑directed chemical intermediate: dehydrogenation affords 4‑vinyltoluene (p‑methylstyrene) for specialty styrenic copolymers, coatings, inks and adhesives; selective oxidation gives 4‑ethylbenzaldehyde, 4‑ethylbenzoic acid or 4‑methylbenzoic acid (p‑toluic acid) that serve as precursors to pharmaceuticals, agrochemicals, liquid‑crystal monomers and fragrance/dye intermediates; further halogenation, sulfonation, nitration or cyanation provides functional para‑derivatives for surfactants, performance additives and curing agents; it is also used as a nonpolar aromatic solvent/inert reaction medium in Friedel–Crafts and organometallic transformations at R&D scale, as a GC/MS reference or internal standard, and as a model substrate for studies of radical autoxidation, dealkylation, transalkylation and zeolite‑catalyzed selectivity in refining and petrochemical research.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 343.41
    methanol 90.24
    isopropanol 295.14
    water 0.04
    ethyl acetate 893.72
    n-propanol 367.05
    acetone 487.54
    n-butanol 417.61
    acetonitrile 664.42
    DMF 298.2
    toluene 724.63
    isobutanol 257.82
    1,4-dioxane 1330.91
    methyl acetate 622.02
    THF 1415.81
    2-butanone 806.64
    n-pentanol 311.78
    sec-butanol 363.66
    n-hexane 581.83
    ethylene glycol 17.59
    NMP 288.48
    cyclohexane 515.87
    DMSO 321.37
    n-butyl acetate 2026.79
    n-octanol 327.57
    chloroform 1722.91
    n-propyl acetate 557.31
    acetic acid 140.16
    dichloromethane 1881.86
    cyclohexanone 840.32
    propylene glycol 44.91
    isopropyl acetate 452.94
    DMAc 283.66
    2-ethoxyethanol 233.93
    isopentanol 335.21
    n-heptane 975.52
    ethyl formate 370.11
    1,2-dichloroethane 1153.09
    n-hexanol 1016.46
    2-methoxyethanol 251.49
    isobutyl acetate 369.61
    tetrachloromethane 403.5
    n-pentyl acetate 464.18
    transcutol 1056.89
    n-heptanol 322.65
    ethylbenzene 429.73
    MIBK 407.92
    2-propoxyethanol 667.65
    tert-butanol 419.05
    MTBE 775.67
    2-butoxyethanol 298.9
    propionic acid 202.02
    o-xylene 338.96
    formic acid 13.54
    diethyl ether 1242.13
    m-xylene 414.6
    p-xylene 437.88
    chlorobenzene 653.79
    dimethyl carbonate 137.33
    n-octane 225.15
    formamide 36.3
    cyclopentanone 761.11
    2-pentanone 660.75
    anisole 526.97
    cyclopentyl methyl ether 781.23
    gamma-butyrolactone 674.16
    1-methoxy-2-propanol 263.74
    pyridine 1100.89
    3-pentanone 592.25
    furfural 401.42
    n-dodecane 118.3
    diethylene glycol 172.26
    diisopropyl ether 382.16
    tert-amyl alcohol 384.76
    acetylacetone 450.12
    n-hexadecane 136.84
    acetophenone 334.33
    methyl propionate 479.32
    isopentyl acetate 1209.23
    trichloroethylene 1478.36
    n-nonanol 296.45
    cyclohexanol 377.49
    benzyl alcohol 209.33
    2-ethylhexanol 837.63
    isooctanol 243.35
    dipropyl ether 1951.89
    1,2-dichlorobenzene 484.6
    ethyl lactate 112.04
    propylene carbonate 431.21
    n-methylformamide 122.4
    2-pentanol 339.79
    n-pentane 348.54
    1-propoxy-2-propanol 687.57
    1-methoxy-2-propyl acetate 692.44
    2-(2-methoxypropoxy) propanol 301.38
    mesitylene 248.26
    ε-caprolactone 689.54
    p-cymene 405.52
    epichlorohydrin 932.04
    1,1,1-trichloroethane 1138.15
    2-aminoethanol 55.07
    morpholine-4-carbaldehyde 393.35
    sulfolane 468.08
    2,2,4-trimethylpentane 112.61
    2-methyltetrahydrofuran 1307.52
    n-hexyl acetate 623.44
    isooctane 108.12
    2-(2-butoxyethoxy)ethanol 427.01
    sec-butyl acetate 359.71
    tert-butyl acetate 472.95
    decalin 198.45
    glycerin 42.61
    diglyme 821.21
    acrylic acid 118.57
    isopropyl myristate 296.55
    n-butyric acid 418.41
    acetyl acetate 368.9
    di(2-ethylhexyl) phthalate 170.18
    ethyl propionate 481.29
    nitromethane 289.45
    1,2-diethoxyethane 1275.47
    benzonitrile 443.52
    trioctyl phosphate 138.44
    1-bromopropane 1356.53
    gamma-valerolactone 652.26
    n-decanol 233.58
    triethyl phosphate 239.89
    4-methyl-2-pentanol 196.64
    propionitrile 673.23
    vinylene carbonate 358.68
    1,1,2-trichlorotrifluoroethane 253.09
    DMS 308.45
    cumene 260.08
    2-octanol 219.51
    2-hexanone 651.53
    octyl acetate 339.15
    limonene 675.29
    1,2-dimethoxyethane 755.3
    ethyl orthosilicate 265.04
    tributyl phosphate 182.78
    diacetone alcohol 292.71
    N,N-dimethylaniline 318.43
    acrylonitrile 485.93
    aniline 373.22
    1,3-propanediol 109.48
    bromobenzene 851.13
    dibromomethane 1604.27
    1,1,2,2-tetrachloroethane 981.31
    2-methyl-cyclohexyl acetate 481.49
    tetrabutyl urea 253.71
    diisobutyl methanol 377.14
    2-phenylethanol 410.99
    styrene 516.3
    dioctyl adipate 309.17
    dimethyl sulfate 136.16
    ethyl butyrate 1117.69
    methyl lactate 88.13
    butyl lactate 190.15
    diethyl carbonate 514.15
    propanediol butyl ether 170.88
    triethyl orthoformate 546.98
    p-tert-butyltoluene 361.01
    methyl 4-tert-butylbenzoate 299.8
    morpholine 1201.86
    tert-butylamine 370.79
    n-dodecanol 192.23
    dimethoxymethane 386.28
    ethylene carbonate 355.5
    cyrene 174.82
    2-ethoxyethyl acetate 490.89
    2-ethylhexyl acetate 1145.21
    1,2,4-trichlorobenzene 461.36
    4-methylpyridine 917.62
    dibutyl ether 997.77
    2,6-dimethyl-4-heptanol 377.14
    DEF 528.95
    dimethyl isosorbide 554.26
    tetrachloroethylene 610.73
    eugenol 226.89
    triacetin 315.27
    span 80 281.04
    1,4-butanediol 45.63
    1,1-dichloroethane 1168.15
    2-methyl-1-pentanol 296.02
    methyl formate 103.25
    2-methyl-1-butanol 333.91
    n-decane 211.34
    butyronitrile 834.3
    3,7-dimethyl-1-octanol 333.52
    1-chlorooctane 507.44
    1-chlorotetradecane 191.89
    n-nonane 252.97
    undecane 151.7
    tert-butylcyclohexane 195.0
    cyclooctane 241.33
    cyclopentanol 298.46
    tetrahydropyran 1677.52
    tert-amyl methyl ether 544.65
    2,5,8-trioxanonane 536.82
    1-hexene 1233.98
    2-isopropoxyethanol 224.07
    2,2,2-trifluoroethanol 35.68
    methyl butyrate 606.14

    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
Santolina chamaecyparisus (France) 2 84961-58-0 Santolina chamaecyparisus L., fam. Asteraceae (Compositae) 0.05%