Compound: P-CRESOL
SMILES: Oc1ccc(C)cc1
InChIKey: IWDCLRJOBJJRNH-UHFFFAOYSA-N
Synonyms: P-CRESOL, 4-Methylphenol, 106-44-5, 4-Cresol, 4-Hydroxytoluene, p-Methylphenol, p-Hydroxytoluene, p-Tolyl alcohol, Phenol, 4-methyl-, para-Cresol, p-Kresol, p-Toluol, p-Oxytoluene, p-Cresylic acid, Paracresol, 1-Hydroxy-4-methylbenzene, p-Methylhydroxybenzene, 1-Methyl-4-hydroxybenzene, Paramethyl phenol, 4-methyl phenol, RCRA waste number U052, FEMA No. 2337, DTXSID7021869, 1MXY2UM8NV, NSC-3696, DTXCID101869, CHEBI:17847, NSC3696, RefChem:169303, 203-398-6, para-Cresylic acid, Cresol, para-, Cresol, p-, p-Kresol [German], 4-methyl-phenol, Cresol, p-isomer, MFCD00002376, CRESOL, PARA, p-Methyl phenol, 4-methylphenol (p-cresol), NSC 3696, CHEMBL16645, NCGC00091519-04, TOLUENE,4-HYDROXY  (PARA-CRESOL), p-Cresol [UN2076]  [Poison, Corrosive], DSSTox_CID_1869, Phenol,4-(methyl-d3)-(9ci), CAS-106-44-5, CCRIS 647, HSDB 1814, EINECS 203-398-6, UNII-1MXY2UM8NV, para cresol, rho-cresol, p-Cresylate, p-methyl-phenol, AI3-00150, Cresol,p-, Phenol, 4-methyI, p-Cresol, 99%, Spectrum_000850, p-Cresol, High Purity, 4-Methylphenol Standard, P-CRESOL [FHFI], P-CRESOL [HSDB], Spectrum2_000765, Spectrum4_001740, Spectrum5_000540, P-CRESOL [MI], SCHEMBL375, bmse000458, EC 203-398-6, DSSTox_RID_77380, DSSTox_RID_77554, NCIOpen2_001516, WLN: QR D1, DSSTox_GSID_24364, DSSTox_GSID_24858, SCHEMBL26575, SCHEMBL57401, 106-44-5(Methanol), KBioGR_002160, KBioSS_001330, p-Cresol, analytical standard, BIDD:ER0010, DivK1c_000381, SCHEMBL316472, SCHEMBL316679, SPECTRUM1500209, Cresol, (Mixture of isomers), p-Cresol, >=99%, FG, SPBio_000810, orb3025221, orb3027293, SCHEMBL1122693, SCHEMBL5024735, SCHEMBL7812506, SGCUT00097, SCHEMBL10918792, HMS501D03, KBio1_000381, KBio2_001330, KBio2_003898, KBio2_006466, PARACRESOL [USP IMPURITY], NINDS_000381, HMS1920A16, HMS2091I04, Pharmakon1600-01500209, p-Cresol, for synthesis, 98.0%, 4-Methylphenol, analytical standard, MSK21106, NSC95259, to_000033, Tox21_113240, Tox21_113445, Tox21_200402, Tox21_201115, Tox21_300029, BDBM50008543, CCG-38990, EBC-03068, NSC-95259, NSC756709, SBB040878, STL183323, AKOS000119005, Tox21_113445_1, DB01688, FC01590, IDI1_000381, NCGC00013272-01, NCGC00091519-01, NCGC00091519-02, NCGC00091519-03, NCGC00091519-05, NCGC00091519-06, NCGC00091519-07, NCGC00091519-09, NCGC00253980-01, NCGC00257956-01, NCGC00258667-01, 4-Methylphenol 10 microg/mL in Methanol, PS-11958, CAS-1319-77-3, p-Cresol, JIS special grade, >=99.0%, SBI-0051322.P003, METACRESOL IMPURITY C [EP IMPURITY], NS00008242, ST50214475, 4-Methylphenol 100 microg/mL in Cyclohexane, EN300-19427, p-Cresol, puriss. p.a., >=99.0% (GC), AMYLMETACRESOL IMPURITY D [EP IMPURITY], C01468, AB00051955_02, F240310, Q312251, SR-05000002037, SR-05000002037-1, BRD-K56940914-001-04-2, Amylmetacresol EP Impurity D; Metacresol EP Impurity C, F1908-0066, Z104473818, InChI=1/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H, 27289-34-5, 2876-02-0
Theoretical properties:
molecular_formula: C7H8O
molecular_weight: 108.14 g/mol
exact_mass: 108.057514874 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 0
heavy_atom_count: 8
topological_polar_surface_area: 20.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Crystalline solid [Note: A liquid above 95 degees F]
color: Crystalline solid [Note: A liquid above 95 degees F]
odor: Phenolic odor
boiling_point: 395.2 °F at 760 mmHg (NTP, 1992)
melting_point: 94.6 °F (NTP, 1992)
density: 1.034 at 68 °F (USCG, 1999) - Denser than water; will sink
solubility: less than 1 mg/mL at 70 °F (NTP, 1992)
flash_point: 187 °F (NTP, 1992)
vapor_pressure: 0.04 mmHg at 68 °F ; 0.11 mmHg at 77 °F (NTP, 1992)
Descriptions:
pubchem: P-cresol is a cresol that consists of toluene substituted by a hydroxy group at position 4. It is a metabolite of aromatic amino acid metabolism produced by intestinal microflora in humans and animals. It has a role as a uremic toxin, an Escherichia coli metabolite and a human metabolite.
chebi: A cresol that consists of toluene substituted by a hydroxy group at position 4. It is a metabolite of aromatic amino acid metabolism produced by intestinal microflora in humans and animals.
chembl: p-CRESOL is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: para-Cresol, also 4-methylphenol, is an organic compound with the formula CH3C6H4(OH).  It is a colourless solid that is widely used intermediate in the production of other chemicals. It is a derivative of phenol and is an isomer of o-cresol and m-cresol.