Compound: P-XYLENE
SMILES: c1(ccc(C)cc1)C
InChIKey: URLKBWYHVLBVBO-UHFFFAOYSA-N
Synonyms: P-XYLENE, 1,4-Dimethylbenzene, 106-42-3, Para-Xylene, 1,4-Xylene, p-Methyltoluene, p-Dimethylbenzene, p-Xylol, Benzene, 1,4-dimethyl-, 4-Xylene, 4-Methyltoluene, Chromar, Scintillar, 1,4-Dimethylbenzol, paraxylene, DTXSID2021868, 6WAC1O477V, NSC-72419, DTXCID701868, CHEBI:27417, RefChem:103, 203-396-5, NSC 72419, MFCD00008556, CHEMBL31561, p-Xylene-alpha,alpha'-13C2, Xylene, p-, Benzene, p-dimethyl-, p-Xylenes, Xylene, p-isomer, PXY, CCRIS 910, HSDB 136, EINECS 203-396-5, UNII-6WAC1O477V, AI3-52255, 1,4-dimethyl benzene, 1,4-dimethyl-benzene, P-XYLENE [MI], SCHEMBL771, 4-XYLENE [HSDB], bmse000834, EC 203-396-5, SCHEMBL15560, SCHEMBL15957, SCHEMBL22594, SCHEMBL51590, p-Xylene, analytical standard, BENZENE,1,4-DIMETHYL, SCHEMBL147275, SCHEMBL651684, SCHEMBL1672298, SCHEMBL2955358, SCHEMBL4622692, SCHEMBL5943419, SCHEMBL6054402, SCHEMBL7101528, WLN: 1R D1, p-Xylene, anhydrous, >=99%, p-Xylene, for synthesis, 99%, SCHEMBL10802510, SCHEMBL11235076, 187l, p-Xylene, for HPLC, >=99%, p-Xylene, ReagentPlus(R), 99%, NSC72419, p-Xylene 10 microg/mL in Methanol, Tox21_201113, BDBM50008567, Benzene, 1,2(or 1,4)-dimethyl-, c0083, EBC-03085, MSK000212, STL264212, AKOS000121124, p-Xylene 5000 microg/mL in Methanol, p-Xylene, purum, >=98.0% (GC), MSK000212-1000M, NCGC00091661-01, NCGC00091661-02, NCGC00258665-01, CAS-106-42-3, p-Xylene, SAJ first grade, >=99.0%, p-Xylene [UN1307]  [Flammable liquid], p-Xylene, SAJ special grade, >=99.0%, p-xylene Solution in Methanol, 1000ug/mL, NS00001217, S0649, X0014, X0044, EN300-24549, p-Xylene, puriss. p.a., >=99.0% (GC), C06756, Q3314420, F0001-0120, Z199056432, InChI=1/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H, p-Xylene, Pharmaceutical Secondary Standard; Certified Reference Material, 136777-61-2
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: 0
heavy_atom_count: 8
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless plates or prisms at low temp
color: Colorless plates or prisms at low temp
odor: Sweet
boiling_point: 280.9 °F at 760 mmHg (NTP, 1992)
melting_point: 55.9 °F (NTP, 1992)
density: 0.861 at 68 °F (USCG, 1999) - Less dense than water; will float
solubility: Insoluble. (NTP, 1992)
flash_point: 81 °F (NTP, 1992)
vapor_pressure: 10 mmHg at 81.1 °F (NTP, 1992)
Descriptions:
pubchem: P-xylene is a xylene with methyl groups at positions 1 and 4.
chebi: A xylene with methyl groups at positions 1 and 4.
chembl: P-XYLENE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: p-Xylene (para-xylene) is an aromatic hydrocarbon. It is one of the three isomers of dimethylbenzene known collectively as xylenes. The p- stands for para-, indicating that the two methyl groups in p-xylene occupy the diametrically opposite substituent positions 1 and 4. It is in the positions of the two methyl groups, their arene substitution pattern, that it differs from the other isomers, o-xylene and m-xylene. All have the same chemical formula C6H4(CH3)2. All xylene isomers are colorless and highly flammable. The odor threshold of p-xylene is 0.62 parts per million (ppm).