3-Ethyltoluene

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  • Identifiers

    CAS number
    620-14-4

    Molecular formula
    C9H12

    SMILES
    CCC1=CC=CC(=C1)C

    Safety labels

    Flammable
    Flammable

    Health Hazard
    Health

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • Carbowax: 1228.0

  • Odor profile

    Woody 48.95%
    Green 41.45%
    Herbal 36.61%
    Spicy 35.92%
    Earthy 34.78%
    Sweet 34.27%
    Phenolic 34.06%
    Tobacco 30.98%
    Leathery 30.22%
    Citrus 29.63%

    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.
    159°C

    Flash point est.
    39.32 ˚C

  • Synonyms

    • 3-Ethyltoluene
    • 620-14-4
    • 1-Ethyl-3-methylbenzene
    • M-ETHYLTOLUENE
    • 1-Methyl-3-ethylbenzene
    • Benzene, 1-ethyl-3-methyl-
    • m-Ethylmethylbenzene
    • m-Methylethylbenzene
    • Toluene, m-ethyl-
    • 3-Methylethylbenzene
    • NSC 74176
    • 3-ethyl-1-methylbenzene
    • meta-Ethyltoluene
    • 1-Ethyl-3-methyl-benzene
    • EINECS 210-626-8
    • UNII-737PTD7O7E
    • 3-ethylmethylbenzene
    • DTXSID6050386
    • CHEBI:77512
    • 1,3-methylethylbenzene
    • NSC-74176
    • Benzene, 3-ethyl-1-methyl-
    • CHEMBL31274
    • 737PTD7O7E
    • DTXCID807876
    • 3-Ethyltoluene 100 microg/mL in Methanol
    • m-Ethyl_toluene
    • Toluene, methyl
    • mEthylmethylbenzene
    • mMethylethylbenzene
    • 1Ethyl3methylbenzene
    • 1Methyl3ethylbenzene
    • MFCD00009259
    • Benzene, 1ethyl3methyl
    • 3-Ethyltoluene, 97%
    • 3-Ethyltoluene, 99%
    • ETHYLTOLUENE, M-
    • Toluene, methyl (8CI)
    • BIDD:ER0585
    • Benzene, 1ethyl3methyl (9CI)
    • 1-ETHYL 3-METHYL BENZENE
    • NSC74176
    • Tox21_202857
    • BBL103656
    • BDBM50167946
    • STL557466
    • AKOS009158576
    • CS-W013572
    • NCGC00260403-01
    • CAS-620-14-4
    • DB-054039
    • E0185
    • NS00002303
    • EN300-32024
    • F11740
    • Q27105073
    • Z337707758

  • Applications

    3-Ethyltoluene (m-ethyltoluene, CAS 620-14-4) is used primarily as a high-solvency aromatic solvent in paints, inks, adhesives, sealants, and rubber/plastics processing; as a process solvent and evaporation-rate modifier to replace toluene or xylene where a higher boiling range is needed; as a key intermediate that can be dehydrogenated to 3‑vinyltoluene (m‑methylstyrene) for manufacturing polymers and copolymers, unsaturated polyester resins, ion-exchange resins, and adhesives; and as a starting material for oxidation/halogenation/nitration to 3‑ethylbenzaldehyde, 3‑ethylbenzoic acid, 3‑ethylbenzyl chloride, and related derivatives used in pharmaceutical, polymer‑additive, and agrochemical synthesis; it also serves as an industrial extraction/cleaning solvent and a reaction medium in organic synthesis.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 852.95
    methanol 594.0
    isopropanol 752.64
    water 0.13
    ethyl acetate 1725.18
    n-propanol 854.46
    acetone 1691.03
    n-butanol 977.72
    acetonitrile 1476.95
    DMF 1109.96
    toluene 1226.45
    isobutanol 704.73
    1,4-dioxane 3304.77
    methyl acetate 1320.52
    THF 3753.37
    2-butanone 1547.18
    n-pentanol 779.72
    sec-butanol 802.67
    n-hexane 1674.8
    ethylene glycol 70.7
    NMP 1201.96
    cyclohexane 1168.03
    DMSO 1220.98
    n-butyl acetate 3277.93
    n-octanol 747.76
    chloroform 2834.8
    n-propyl acetate 1241.22
    acetic acid 343.68
    dichloromethane 2879.71
    cyclohexanone 2213.66
    propylene glycol 122.43
    isopropyl acetate 1060.46
    DMAc 731.08
    2-ethoxyethanol 647.01
    isopentanol 904.25
    n-heptane 1204.06
    ethyl formate 722.39
    1,2-dichloroethane 2267.48
    n-hexanol 1998.4
    2-methoxyethanol 808.61
    isobutyl acetate 905.81
    tetrachloromethane 785.74
    n-pentyl acetate 899.74
    transcutol 2146.39
    n-heptanol 679.15
    ethylbenzene 713.6
    MIBK 1017.23
    2-propoxyethanol 1802.47
    tert-butanol 1099.05
    MTBE 2057.18
    2-butoxyethanol 738.95
    propionic acid 460.71
    o-xylene 605.25
    formic acid 50.25
    diethyl ether 3063.36
    m-xylene 786.47
    p-xylene 735.55
    chlorobenzene 1167.65
    dimethyl carbonate 396.96
    n-octane 381.47
    formamide 98.49
    cyclopentanone 2115.7
    2-pentanone 1516.0
    anisole 1017.04
    cyclopentyl methyl ether 2280.04
    gamma-butyrolactone 1812.81
    1-methoxy-2-propanol 791.61
    pyridine 1697.36
    3-pentanone 1303.67
    furfural 1052.01
    n-dodecane 224.77
    diethylene glycol 574.87
    diisopropyl ether 1026.68
    tert-amyl alcohol 897.83
    acetylacetone 1188.36
    n-hexadecane 259.91
    acetophenone 635.1
    methyl propionate 1085.05
    isopentyl acetate 2075.07
    trichloroethylene 2589.94
    n-nonanol 624.75
    cyclohexanol 1023.98
    benzyl alcohol 437.85
    2-ethylhexanol 1450.78
    isooctanol 559.05
    dipropyl ether 2967.42
    1,2-dichlorobenzene 913.15
    ethyl lactate 286.6
    propylene carbonate 1021.17
    n-methylformamide 429.75
    2-pentanol 840.15
    n-pentane 864.49
    1-propoxy-2-propanol 1484.41
    1-methoxy-2-propyl acetate 1349.8
    2-(2-methoxypropoxy) propanol 625.02
    mesitylene 528.17
    ε-caprolactone 1681.4
    p-cymene 532.98
    epichlorohydrin 2445.32
    1,1,1-trichloroethane 2268.09
    2-aminoethanol 182.74
    morpholine-4-carbaldehyde 1309.95
    sulfolane 1736.47
    2,2,4-trimethylpentane 298.34
    2-methyltetrahydrofuran 3157.62
    n-hexyl acetate 1268.17
    isooctane 323.4
    2-(2-butoxyethoxy)ethanol 921.74
    sec-butyl acetate 817.66
    tert-butyl acetate 1234.94
    decalin 496.65
    glycerin 145.62
    diglyme 1641.94
    acrylic acid 291.98
    isopropyl myristate 594.42
    n-butyric acid 910.05
    acetyl acetate 751.82
    di(2-ethylhexyl) phthalate 322.74
    ethyl propionate 1035.63
    nitromethane 809.11
    1,2-diethoxyethane 2155.65
    benzonitrile 786.58
    trioctyl phosphate 307.95
    1-bromopropane 2359.1
    gamma-valerolactone 1877.43
    n-decanol 510.19
    triethyl phosphate 405.76
    4-methyl-2-pentanol 530.27
    propionitrile 1368.02
    vinylene carbonate 807.56
    1,1,2-trichlorotrifluoroethane 743.31
    DMS 681.44
    cumene 468.57
    2-octanol 522.32
    2-hexanone 1459.09
    octyl acetate 689.75
    limonene 1001.01
    1,2-dimethoxyethane 1876.34
    ethyl orthosilicate 454.99
    tributyl phosphate 402.76
    diacetone alcohol 824.13
    N,N-dimethylaniline 619.01
    acrylonitrile 1057.62
    aniline 768.36
    1,3-propanediol 347.72
    bromobenzene 1478.44
    dibromomethane 2549.14
    1,1,2,2-tetrachloroethane 2104.88
    2-methyl-cyclohexyl acetate 890.29
    tetrabutyl urea 511.81
    diisobutyl methanol 683.66
    2-phenylethanol 818.74
    styrene 879.09
    dioctyl adipate 562.49
    dimethyl sulfate 488.93
    ethyl butyrate 1697.12
    methyl lactate 273.28
    butyl lactate 429.72
    diethyl carbonate 759.78
    propanediol butyl ether 461.44
    triethyl orthoformate 885.31
    p-tert-butyltoluene 517.34
    methyl 4-tert-butylbenzoate 575.08
    morpholine 2729.58
    tert-butylamine 931.83
    n-dodecanol 427.09
    dimethoxymethane 1308.14
    ethylene carbonate 836.65
    cyrene 438.86
    2-ethoxyethyl acetate 897.13
    2-ethylhexyl acetate 1850.47
    1,2,4-trichlorobenzene 915.05
    4-methylpyridine 1756.48
    dibutyl ether 1806.47
    2,6-dimethyl-4-heptanol 683.66
    DEF 1344.79
    dimethyl isosorbide 1097.6
    tetrachloroethylene 1328.36
    eugenol 487.6
    triacetin 603.8
    span 80 594.57
    1,4-butanediol 163.81
    1,1-dichloroethane 2376.07
    2-methyl-1-pentanol 725.49
    methyl formate 400.22
    2-methyl-1-butanol 848.21
    n-decane 382.47
    butyronitrile 1572.42
    3,7-dimethyl-1-octanol 735.91
    1-chlorooctane 986.94
    1-chlorotetradecane 394.22
    n-nonane 473.82
    undecane 283.93
    tert-butylcyclohexane 500.19
    cyclooctane 561.66
    cyclopentanol 867.64
    tetrahydropyran 3724.18
    tert-amyl methyl ether 1397.26
    2,5,8-trioxanonane 1014.46
    1-hexene 2659.43
    2-isopropoxyethanol 616.28
    2,2,2-trifluoroethanol 98.49
    methyl butyrate 1314.81

    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) 0.1%
Thyme 5 8007-46-3 Thymus vulgaris L., fam. Lamiaceae (Labiatae) 0.01%