Ethylbenzene

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    100-41-4

    Molecular formula
    C8H10

    SMILES
    CCC1=CC=CC=C1

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Retention indicies (RI)

    • DB5: 856.0
    • Carbowax: 1129.4

  • Odor profile

    Sweet 51.81%
    Gassy 36.93%
    Green 33.52%
    Woody 29.4%
    Earthy 29.35%
    Herbal 28.55%
    Phenolic 28.43%
    Spicy 27.72%
    Musty 25.94%
    Burnt 25.79%

    Scent© AI

    Odor threshold>

    • Odor Threshold Low: 0.09 [mmHg]. Odor Threshold High: 0.6 [mmHg]. Odor threshold from AIHA
    • 140 ppm /Purity not specified/
    • 2-2.6 mg/cu m; detection: 0.4 mg/cu m /Purity not specified/
    • Odor Low: 8.7 mg/cu m, Odor High: 870.0 mg/cu m

  • Properties

    XLogP3-AA
    3.1

    Molecular weight
    106.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -139 °F (NTP, 1992)
    • -94.95 °C
    • -139 °F

    Boiling point

    • 277.2 °F at 760 mmHg (NTP, 1992)
    • 136.2 °C
    • 277 °F

    Flash point est.
    24.24 ˚C

    Flash point expt.

    • 59 °F (NTP, 1992)
    • 12.8 °C
    • 15.0 °C (59.0 °F) - closed cup
    • 64 °F (18 °C) - closed cup
    • 70 °F (21 °C) - closed cup
    • 55 °F

    Solubility expt.

    • less than 1 mg/mL at 73 °F (NTP, 1992)
    • In water, 170 mg/L at 25 °C (average of 16 literature ranging from 131-212 mg/L at 25 °C)
    • In water, 169 mg/L at 25 °C
    • In water, 0.014 g/100 mL at 15 °C
    • Soluble in all proportions in ethyl alcohol and ethyl ether
    • For more Solubility (Complete) data for ETHYLBENZENE (8 total), please visit the HSDB record page.
    • 0.01%

  • Synonyms

    • ETHYLBENZENE
    • 100-41-4
    • Phenylethane
    • Benzene, ethyl-
    • Ethylbenzol
    • Ethyl benzene
    • Aethylbenzol
    • Ethylenzene
    • Ethylbenzeen
    • Etilbenzene
    • Etylobenzen
    • alpha-Methyltoluene
    • 1-ethylbenzene
    • NCI-C56393
    • HSDB 84
    • CCRIS 916
    • NSC 406903
    • EINECS 202-849-4
    • UNII-L5I45M5G0O
    • L5I45M5G0O
    • .alpha.-Methyltoluene
    • DTXSID3020596
    • ETHYL-BENZENE
    • CHEBI:16101
    • AI3-09057
    • EB
    • NSC-406903
    • DTXCID10596
    • CHEMBL371561
    • EC 202-849-4
    • 20302-26-5
    • ETHYL-ALPHA,ALPHA-D2-BENZENE-D5
    • ETHYLBENZENE (IARC)
    • ETHYLBENZENE [IARC]
    • ETHYLBENZENE (USP-RS)
    • ETHYLBENZENE [USP-RS]
    • Ethylbenzeen [Dutch]
    • Etylobenzen [Polish]
    • 158507-69-8
    • Aethylbenzol [German]
    • Etilbenzene [Italian]
    • UN1175
    • etph
    • 1-phenylethane
    • PYJ
    • EINECS 272-685-6
    • MFCD00011647
    • ETHYLBENZENE [MI]
    • Ethylbenzene [UN1175] [Flammable liquid]
    • ETHYLBENZENE [HSDB]
    • WLN: 2R
    • BIDD:ER0246
    • ghl.PD_Mitscher_leg0.1024
    • NSC 406903, Phenylethane
    • QSPL 092
    • Ethylbenzene, analytical standard
    • Ethylbenzene, anhydrous, 99.8%
    • NCI C56393
    • Tox21_201064
    • BDBM50167951
    • Ethylbenzene, ReagentPlus(R), 99%
    • NSC406903
    • STL282714
    • AKOS000120140
    • UN 1175
    • MSK000014-1000M
    • NCGC00090768-01
    • NCGC00090768-02
    • NCGC00258617-01
    • BS-18982
    • CAS-100-41-4
    • Ethylbenzene 10 microg/mL in Cyclohexane
    • Ethylbenzene 100 microg/mL in Cyclohexane
    • DB-045168
    • E0064
    • NS00009164
    • S0646
    • Ethylbenzene Solution in Methanol, 1000ug/mL
    • C07111
    • Q409184
    • F0001-0016
    • Z104473632
    • Ethylbenzene, United States Pharmacopeia (USP) Reference Standard
    • InChI=1/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H
    • Ethylbenzene, Pharmaceutical Secondary Standard; Certified Reference Material
    • 202-849-4

  • Applications

    Ethylbenzene (CAS 100-41-4) is used primarily as the feedstock for styrene production, which underpins polystyrene, ABS, SBR, SAN, unsaturated polyester and vinyl ester resins, foams, and synthetic rubber; it also serves as an aromatic solvent/diluent in paints, coatings, varnishes, adhesives, and inks, in certain industrial extraction/cleaning operations, and occurs as a constituent of gasoline; as an intermediate it is oxidized to ethylbenzene hydroperoxide in SM/PO technology co‑producing styrene and propylene oxide, converted to acetophenone or 1‑phenylethanol, further alkylated to diethylbenzene, and used as an analytical standard for environmental VOC monitoring; applications span packaging, electronics, automotive, construction, tires, and adhesives, with handling typically requiring vapor controls, exposure limits, and solvent substitution when appropriate due to its flammability and volatile aromatic toxicity.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 802.37
    methanol 522.77
    isopropanol 656.11
    water 0.12
    ethyl acetate 2173.44
    n-propanol 803.94
    acetone 1841.88
    n-butanol 902.57
    acetonitrile 1884.69
    DMF 1144.97
    toluene 1373.9
    isobutanol 632.44
    1,4-dioxane 3576.1
    methyl acetate 1624.4
    THF 3149.59
    2-butanone 1773.89
    n-pentanol 691.81
    sec-butanol 725.56
    n-hexane 1085.3
    ethylene glycol 63.66
    NMP 1348.92
    cyclohexane 993.33
    DMSO 1557.44
    n-butyl acetate 3671.89
    n-octanol 548.66
    chloroform 3979.7
    n-propyl acetate 1655.03
    acetic acid 467.61
    dichloromethane 4328.38
    cyclohexanone 2552.48
    propylene glycol 106.77
    isopropyl acetate 1135.23
    DMAc 755.51
    2-ethoxyethanol 661.34
    isopentanol 808.35
    n-heptane 883.38
    ethyl formate 893.6
    1,2-dichloroethane 3077.97
    n-hexanol 1443.59
    2-methoxyethanol 803.3
    isobutyl acetate 1039.14
    tetrachloromethane 996.88
    n-pentyl acetate 967.09
    transcutol 2615.01
    n-heptanol 506.5
    ethylbenzene 727.53
    MIBK 992.29
    2-propoxyethanol 1456.68
    tert-butanol 975.04
    MTBE 1782.24
    2-butoxyethanol 622.18
    propionic acid 598.13
    o-xylene 596.52
    formic acid 59.85
    diethyl ether 3058.55
    m-xylene 706.25
    p-xylene 746.4
    chlorobenzene 1529.05
    dimethyl carbonate 438.18
    n-octane 280.0
    formamide 133.96
    cyclopentanone 2293.09
    2-pentanone 1581.7
    anisole 1181.93
    cyclopentyl methyl ether 1938.12
    gamma-butyrolactone 1983.51
    1-methoxy-2-propanol 704.44
    pyridine 2375.68
    3-pentanone 1391.66
    furfural 1373.02
    n-dodecane 164.47
    diethylene glycol 492.56
    diisopropyl ether 872.3
    tert-amyl alcohol 784.29
    acetylacetone 1292.78
    n-hexadecane 190.67
    acetophenone 772.8
    methyl propionate 1236.19
    isopentyl acetate 2137.57
    trichloroethylene 3693.01
    n-nonanol 474.79
    cyclohexanol 903.16
    benzyl alcohol 476.25
    2-ethylhexanol 1129.66
    isooctanol 440.54
    dipropyl ether 2897.46
    1,2-dichlorobenzene 1199.21
    ethyl lactate 329.58
    propylene carbonate 1235.16
    n-methylformamide 496.42
    2-pentanol 714.8
    n-pentane 626.27
    1-propoxy-2-propanol 1279.91
    1-methoxy-2-propyl acetate 1353.01
    2-(2-methoxypropoxy) propanol 604.05
    mesitylene 474.07
    ε-caprolactone 2018.62
    p-cymene 493.63
    epichlorohydrin 2621.16
    1,1,1-trichloroethane 2944.33
    2-aminoethanol 172.23
    morpholine-4-carbaldehyde 1516.07
    sulfolane 2023.14
    2,2,4-trimethylpentane 215.88
    2-methyltetrahydrofuran 2944.68
    n-hexyl acetate 1189.72
    isooctane 217.23
    2-(2-butoxyethoxy)ethanol 874.42
    sec-butyl acetate 988.03
    tert-butyl acetate 1205.84
    decalin 378.08
    glycerin 133.54
    diglyme 1774.82
    acrylic acid 397.01
    isopropyl myristate 558.16
    n-butyric acid 1131.15
    acetyl acetate 1002.56
    di(2-ethylhexyl) phthalate 306.22
    ethyl propionate 1324.36
    nitromethane 1157.42
    1,2-diethoxyethane 2522.5
    benzonitrile 1031.92
    trioctyl phosphate 267.23
    1-bromopropane 2808.61
    gamma-valerolactone 2100.86
    n-decanol 374.36
    triethyl phosphate 460.87
    4-methyl-2-pentanol 430.08
    propionitrile 1649.19
    vinylene carbonate 1080.23
    1,1,2-trichlorotrifluoroethane 937.75
    DMS 724.46
    cumene 413.26
    2-octanol 381.3
    2-hexanone 1625.59
    octyl acetate 620.11
    limonene 863.81
    1,2-dimethoxyethane 1999.34
    ethyl orthosilicate 482.87
    tributyl phosphate 377.75
    diacetone alcohol 781.61
    N,N-dimethylaniline 631.22
    acrylonitrile 1417.48
    aniline 871.54
    1,3-propanediol 332.65
    bromobenzene 1955.47
    dibromomethane 3530.42
    1,1,2,2-tetrachloroethane 2749.38
    2-methyl-cyclohexyl acetate 938.65
    tetrabutyl urea 495.23
    diisobutyl methanol 594.11
    2-phenylethanol 784.28
    styrene 1026.54
    dioctyl adipate 598.33
    dimethyl sulfate 552.48
    ethyl butyrate 2206.61
    methyl lactate 286.86
    butyl lactate 427.21
    diethyl carbonate 1066.53
    propanediol butyl ether 389.43
    triethyl orthoformate 1080.43
    p-tert-butyltoluene 438.51
    methyl 4-tert-butylbenzoate 571.34
    morpholine 2970.22
    tert-butylamine 795.22
    n-dodecanol 323.43
    dimethoxymethane 1229.94
    ethylene carbonate 1068.73
    cyrene 431.06
    2-ethoxyethyl acetate 1033.58
    2-ethylhexyl acetate 1861.3
    1,2,4-trichlorobenzene 1179.54
    4-methylpyridine 2201.37
    dibutyl ether 1728.18
    2,6-dimethyl-4-heptanol 594.11
    DEF 1579.2
    dimethyl isosorbide 1186.54
    tetrachloroethylene 1820.95
    eugenol 516.64
    triacetin 681.14
    span 80 563.51
    1,4-butanediol 143.93
    1,1-dichloroethane 2901.18
    2-methyl-1-pentanol 633.08
    methyl formate 426.11
    2-methyl-1-butanol 748.33
    n-decane 286.58
    butyronitrile 1785.09
    3,7-dimethyl-1-octanol 625.31
    1-chlorooctane 785.43
    1-chlorotetradecane 310.33
    n-nonane 333.4
    undecane 207.14
    tert-butylcyclohexane 373.27
    cyclooctane 411.06
    cyclopentanol 734.29
    tetrahydropyran 3760.9
    tert-amyl methyl ether 1152.9
    2,5,8-trioxanonane 1099.72
    1-hexene 2193.17
    2-isopropoxyethanol 596.18
    2,2,2-trifluoroethanol 132.48
    methyl butyrate 1679.31

    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
Etrog, leaf Citrus medica L., cultivar ethrog Engl., fam. Rutaceae 0.01%
Etrog, peel Citrus medica L., cultivar ethrog Engl., fam. Rutaceae 0.01%
Guava fruit (Nigeria) 91770-12-6 Psidium guajava L., fam. Myrtaceae 0.34%
Osmanthus concentrate 2 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.02%
Litsea zeylanica Litsea zeylanica Nees, fam. Lauraceae 0.01%
Litchi pulp (China) Lichi sinensis Sonn., fam. Sapindaceae 0.17%
Indian curry leaf tree (leaf) Murraya koenigii Spreng., fam. Rutaceae 0.01%
Fitweed root Eryngium foetidum L., fam. Apiaceae (Umbelliferae) 0.29%
Rue (China) 2 8014-29-7 Ruta graveolens L., fam. Rutaceae 0.02%
Cordia nitida fruit Cordia nitida Vahl., fam. Borraginaceae 0.5%
Patchouli (China) 3a root 8014-09-3 Pogostemon cablin Benth., fam. Lamiaceae (Labiatae) 0.01%
Patchouli (China) 3b rhizome 8014-09-3 Pogostemon cablin Benth., fam. Lamiaceae (Labiatae) 0.02%
Alstonia scholaris Alstonia scholaris (L.) R.Br., fam. Apocynaceae 0.5%
Ambarella fruit (Brazil) Spondias cytherea Sonnerat, fam. Anarcardiaceae 0.05%
Eugenia catharinensis leaf (Brazil) Eugenia catharinensis D. Legrand, fam. Myrtaceae 0.8%