1-Ethyl-2-Methylbenzene

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  • Identifiers

    CAS number
    611-14-3

    Molecular formula
    C9H12

    SMILES
    CCC1=CC=CC=C1C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • Carbowax: 1341.0

  • Odor profile

    Woody 39.71%
    Spicy 39.53%
    Herbal 38.2%
    Phenolic 35.67%
    Citrus 35.17%
    Sweet 35.1%
    Earthy 31.83%
    Gassy 30.96%
    Terpenic 29.09%
    Musty 27.5%

    Scent© AI

  • Properties

    XLogP3-AA
    3.5

    Molecular weight
    120.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Melting point expt.

    • -113.4 °F (USCG, 1999)

    Boiling point

    • 329.4 °F at 760 mmHg (USCG, 1999)

    Flash point est.
    40.68 ˚C

    Flash point expt.

    • 103 °F (USCG, 1999)

  • Synonyms

    • 1-Ethyl-2-methylbenzene
    • 2-Ethyltoluene
    • 611-14-3
    • O-ETHYLTOLUENE
    • o-Methylethylbenzene
    • 1-Methyl-2-ethylbenzene
    • Toluene, o-ethyl-
    • ortho-Ethyltoluene
    • Benzene, 1-ethyl-2-methyl-
    • 1,2-methylethylbenzene
    • o-Ethyl methylbenzene
    • o-Ethyl methyl benzene
    • Ethyltoluene
    • 2-ethyl toluene
    • Ethyltoluene, o-
    • o-Ethylmethylbenzene
    • NSC 405731
    • 2-Methyl-1-ethylbenzene
    • EINECS 210-255-1
    • 2-Methylethylbenzene
    • BRN 1851237
    • DBX00873SV
    • DTXSID2050403
    • CHEBI:34276
    • AI3-28773
    • NSC-405731
    • CHEMBL364233
    • DTXCID5029477
    • 4-05-00-00999 (Beilstein Handbook Reference)
    • 2-ethyl-1-methylbenzene
    • 1-ethyl-2-methyl-benzene
    • UNII-DBX00873SV
    • oEthyltoluene
    • 2Ethyltoluene
    • Ethyl toluene
    • alphaMethylxylene
    • Toluene, oethyl
    • 2Ethyl toluene
    • Toluene, ethyl
    • Toluene, ethyl-
    • oEthylmethylbenzene
    • oMethylethylbenzene
    • 2Methylethylbenzene
    • oEthyl methylbenzene
    • 2-ethylmethylbenzene
    • 1Methyl2ethylbenzene
    • MFCD00009257
    • Toluene, ar-ethyl-
    • oEthyl methyl benzene
    • Toluene, 2-ethyl-
    • Benzene, 1ethyl2methyl
    • 2-Ethyltoluene, 99%
    • 2-Ethyltoluene 100 microg/mL in Methanol
    • ALPHA-METHYLXYLENE
    • BIDD:ER0573
    • WLN: 2R B1
    • DTXSID8027876
    • EINECS 247-093-6
    • Tox21_303797
    • BDBM50167949
    • NSC405731
    • AKOS015842902
    • AC-6953
    • CS-W009542
    • DS-2369
    • NCGC00356979-01
    • CAS-611-14-3
    • DB-024735
    • A8492
    • E0184
    • NS00002055
    • Q27115961
    • 210-255-1
    • 247-093-6
    • 611-14-3(2-ethyltoluene)25550-14-5(unspecifiedisomer)622-96-8(4-ethyltoluene)620-14-4(3-ethyltoluene)

  • Applications

    1‑Ethyl‑2‑methylbenzene (o‑ethyltoluene, CAS 611‑14‑3) is used mainly as a high‑boiling aromatic solvent for resins, coatings, inks, and adhesives; as an intermediate dehydrogenated to vinyltoluene (methylstyrene) for manufacturing styrenic polymers and copolymers, unsaturated polyester resins, and specialty resins; and as a versatile building block for functionalized aromatics via oxidation, halogenation, sulfonation, and other transformations (e.g., conversion to 2‑ethylbenzoic acid, 2‑methylbenzoic acid, and the corresponding aldehydes/phenols/amines) employed in dyes, polymer additives, and pharma/agrochemical intermediates; it is also used as a process/reaction solvent in fine organic synthesis and as a reference/calibration compound for petrochemical GC/GC‑MS analysis.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 785.79
    methanol 760.78
    isopropanol 560.84
    water 0.32
    ethyl acetate 1516.66
    n-propanol 747.02
    acetone 1210.24
    n-butanol 755.15
    acetonitrile 1469.45
    DMF 891.26
    toluene 1046.48
    isobutanol 525.68
    1,4-dioxane 3346.3
    methyl acetate 1211.03
    THF 2915.22
    2-butanone 1205.93
    n-pentanol 602.11
    sec-butanol 524.22
    n-hexane 936.13
    ethylene glycol 60.44
    NMP 1152.14
    cyclohexane 901.47
    DMSO 997.65
    n-butyl acetate 2711.38
    n-octanol 440.43
    chloroform 2969.51
    n-propyl acetate 1203.33
    acetic acid 374.22
    dichloromethane 3333.19
    cyclohexanone 1989.5
    propylene glycol 77.82
    isopropyl acetate 875.26
    DMAc 557.92
    2-ethoxyethanol 618.59
    isopentanol 645.32
    n-heptane 682.27
    ethyl formate 741.24
    1,2-dichloroethane 2433.91
    n-hexanol 1176.44
    2-methoxyethanol 715.25
    isobutyl acetate 759.51
    tetrachloromethane 960.95
    n-pentyl acetate 816.49
    transcutol 1865.67
    n-heptanol 461.08
    ethylbenzene 582.29
    MIBK 759.68
    2-propoxyethanol 1260.83
    tert-butanol 746.14
    MTBE 1454.11
    2-butoxyethanol 554.16
    propionic acid 463.91
    o-xylene 506.51
    formic acid 76.78
    diethyl ether 2685.49
    m-xylene 621.67
    p-xylene 631.38
    chlorobenzene 1166.64
    dimethyl carbonate 341.55
    n-octane 245.57
    formamide 158.28
    cyclopentanone 1809.01
    2-pentanone 1183.44
    anisole 978.58
    cyclopentyl methyl ether 1860.41
    gamma-butyrolactone 1736.35
    1-methoxy-2-propanol 549.27
    pyridine 1813.88
    3-pentanone 1029.8
    furfural 1161.93
    n-dodecane 139.32
    diethylene glycol 447.39
    diisopropyl ether 782.49
    tert-amyl alcohol 607.47
    acetylacetone 902.68
    n-hexadecane 161.01
    acetophenone 596.74
    methyl propionate 912.59
    isopentyl acetate 1612.6
    trichloroethylene 2673.37
    n-nonanol 399.99
    cyclohexanol 752.13
    benzyl alcohol 405.67
    2-ethylhexanol 904.71
    isooctanol 406.91
    dipropyl ether 2061.98
    1,2-dichlorobenzene 960.87
    ethyl lactate 244.45
    propylene carbonate 914.1
    n-methylformamide 464.83
    2-pentanol 572.72
    n-pentane 583.63
    1-propoxy-2-propanol 972.88
    1-methoxy-2-propyl acetate 1041.51
    2-(2-methoxypropoxy) propanol 514.54
    mesitylene 430.61
    ε-caprolactone 1615.7
    p-cymene 429.27
    epichlorohydrin 2254.5
    1,1,1-trichloroethane 2163.86
    2-aminoethanol 165.21
    morpholine-4-carbaldehyde 1381.52
    sulfolane 1684.86
    2,2,4-trimethylpentane 205.42
    2-methyltetrahydrofuran 2499.08
    n-hexyl acetate 951.61
    isooctane 202.83
    2-(2-butoxyethoxy)ethanol 708.94
    sec-butyl acetate 710.8
    tert-butyl acetate 935.83
    decalin 367.57
    glycerin 105.22
    diglyme 1410.39
    acrylic acid 305.07
    isopropyl myristate 469.22
    n-butyric acid 842.55
    acetyl acetate 689.51
    di(2-ethylhexyl) phthalate 265.63
    ethyl propionate 977.76
    nitromethane 932.65
    1,2-diethoxyethane 1955.27
    benzonitrile 800.91
    trioctyl phosphate 235.25
    1-bromopropane 2127.26
    gamma-valerolactone 1844.28
    n-decanol 320.73
    triethyl phosphate 388.78
    4-methyl-2-pentanol 357.05
    propionitrile 1326.14
    vinylene carbonate 873.56
    1,1,2-trichlorotrifluoroethane 674.23
    DMS 591.92
    cumene 368.73
    2-octanol 338.07
    2-hexanone 1141.6
    octyl acetate 523.45
    limonene 737.59
    1,2-dimethoxyethane 1741.06
    ethyl orthosilicate 408.96
    tributyl phosphate 322.77
    diacetone alcohol 598.0
    N,N-dimethylaniline 545.15
    acrylonitrile 1188.86
    aniline 733.39
    1,3-propanediol 301.29
    bromobenzene 1446.06
    dibromomethane 2660.34
    1,1,2,2-tetrachloroethane 2038.31
    2-methyl-cyclohexyl acetate 762.21
    tetrabutyl urea 408.33
    diisobutyl methanol 493.64
    2-phenylethanol 650.37
    styrene 775.01
    dioctyl adipate 478.15
    dimethyl sulfate 418.93
    ethyl butyrate 1542.91
    methyl lactate 214.8
    butyl lactate 340.24
    diethyl carbonate 780.38
    propanediol butyl ether 289.82
    triethyl orthoformate 848.66
    p-tert-butyltoluene 404.24
    methyl 4-tert-butylbenzoate 487.42
    morpholine 2613.59
    tert-butylamine 624.43
    n-dodecanol 271.05
    dimethoxymethane 1079.55
    ethylene carbonate 884.56
    cyrene 373.47
    2-ethoxyethyl acetate 875.72
    2-ethylhexyl acetate 1441.3
    1,2,4-trichlorobenzene 950.12
    4-methylpyridine 1685.27
    dibutyl ether 1296.65
    2,6-dimethyl-4-heptanol 493.64
    DEF 1195.22
    dimethyl isosorbide 991.39
    tetrachloroethylene 1493.04
    eugenol 430.51
    triacetin 503.38
    span 80 451.19
    1,4-butanediol 133.69
    1,1-dichloroethane 2202.13
    2-methyl-1-pentanol 551.8
    methyl formate 414.72
    2-methyl-1-butanol 625.0
    n-decane 245.61
    butyronitrile 1334.11
    3,7-dimethyl-1-octanol 482.22
    1-chlorooctane 641.84
    1-chlorotetradecane 270.97
    n-nonane 279.19
    undecane 175.84
    tert-butylcyclohexane 355.48
    cyclooctane 387.73
    cyclopentanol 654.77
    tetrahydropyran 3231.41
    tert-amyl methyl ether 948.31
    2,5,8-trioxanonane 887.23
    1-hexene 1682.52
    2-isopropoxyethanol 516.95
    2,2,2-trifluoroethanol 123.7
    methyl butyrate 1206.31

    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
Blackcurrant bud, absolute 68606-81-5 Ribes nigrum L., fam. Grossulariaceae 0.03%
Santolina chamaecyparisus (France) 2 84961-58-0 Santolina chamaecyparisus L., fam. Asteraceae (Compositae) 0.05%
Styrax (China) 8024-01-9 Liquidamber formosana Hance, fam. Hamamelidaceae 0.42%