Compound: ETHYLBENZENE
SMILES: c1(ccccc1)CC
InChIKey: YNQLUTRBYVCPMQ-UHFFFAOYSA-N
Synonyms: ETHYLBENZENE, 100-41-4, Phenylethane, Ethylbenzol, Benzene, ethyl-, Ethyl benzene, Ethylenzene, Aethylbenzol, Ethylbenzeen, Etilbenzene, Etylobenzen, alpha-Methyltoluene, NCI-C56393, DTXSID3020596, L5I45M5G0O, NSC-406903, DTXCID10596, CHEBI:16101, RefChem:6429, 202-849-4, 1-ethylbenzene, MFCD00011647, NSC 406903, .alpha.-Methyltoluene, ETHYL-BENZENE, CHEMBL371561, EB, Ethylbenzeen [Dutch], Etylobenzen [Polish], Aethylbenzol [German], Etilbenzene [Italian], 1-phenylethane, HSDB 84, CCRIS 916, EINECS 202-849-4, UN1175, etph, UNII-L5I45M5G0O, AI3-09057, PYJ, Ethylbenzene Standard, SCHEMBL28, SCHEMBL29, ETHYLBENZENE [MI], Ethylbenzene [UN1175]  [Flammable liquid], SCHEMBL886, EC 202-849-4, ETHYLBENZENE [HSDB], ETHYLBENZENE [IARC], SCHEMBL21510, SCHEMBL24915, SCHEMBL58507, SCHEMBL96562, SCHEMBL96563, WLN: 2R, BIDD:ER0246, ETHYLBENZENE [USP-RS], SCHEMBL131608, SCHEMBL248845, SCHEMBL358189, SCHEMBL375909, SCHEMBL611674, ghl.PD_Mitscher_leg0.1024, NSC 406903, Phenylethane, NSC 406903; Phenylethane, QSPL 092, SCHEMBL1278765, SCHEMBL1510100, SCHEMBL1510196, SCHEMBL1777327, SCHEMBL1777374, SCHEMBL2176933, SCHEMBL3090324, SCHEMBL3227697, SCHEMBL5544447, SCHEMBL7606493, SCHEMBL18106217, SCHEMBL22284120, SCHEMBL30483982, Ethylbenzene, analytical standard, Ethylbenzene, anhydrous, 99.8%, Tox21_201064, BDBM50167951, EBC-04379, Ethylbenzene, ReagentPlus(R), 99%, MSK000014, NSC406903, SBB040891, 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, ST50214487, Ethylbenzene Solution in Methanol, 1000ug/mL, C07111, F094632, 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
Theoretical properties:
molecular_formula: C8H10
molecular_weight: 106.16 g/mol
exact_mass: 106.078250319 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 0
rotatable_bond_count: 1
heavy_atom_count: 8
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless liquid
color: Colorless liquid
odor: Aromatic odor
boiling_point: 277.2 °F at 760 mmHg (NTP, 1992)
melting_point: -139 °F (NTP, 1992)
density: 0.867 at 68 °F (USCG, 1999) - Less dense than water; will float
solubility: less than 1 mg/mL at 73 °F (NTP, 1992)
flash_point: 59 °F (NTP, 1992)
vapor_pressure: 10 mmHg at 85.1 °F ; 5 mmHg at 57.0 °F; 760 mmHg at 277.2 °F (NTP, 1992)
Descriptions:
pubchem: Ethylbenzene can cause cancer according to The World Health Organization's International Agency for Research on Cancer (IARC).
chebi: An  alkylbenzene carrying an ethyl substituent. It is a constituent of coal tar and petroleum.
chembl: ETHYLBENZENE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Ethylbenzene is an organic compound with the formula C6H5CH2CH3. It is a highly flammable, colorless liquid with an odor similar to that of gasoline. This monocyclic aromatic hydrocarbon is important in the petrochemical industry as a reaction intermediate in the production of styrene, the precursor to polystyrene, a common plastic material.  In 2012, more than 99% of ethylbenzene produced was consumed in the production of styrene.