Compound: o-cresol
SMILES: Oc1c(cccc1)C
InChIKey: QWVGKYWNOKOFNN-UHFFFAOYSA-N
Synonyms: o-cresol, 2-Methylphenol, 95-48-7, Orthocresol, 2-hydroxytoluene, 2-Cresol, o-methylphenol, Phenol, 2-methyl-, o-Cresylic acid, o-Toluol, o-Oxytoluene, o-Hydroxytoluene, ortho-cresol, 1-Hydroxy-2-methylbenzene, o-Methylphenylol, o-Kresol, 2-methyl phenol, 2-Hydroxy-1-methylbenzene, FEMA No. 3480, 1-Methyl-2-hydroxybenzene, DTXSID8021808, YW84DH5I7U, NSC-23076, NSC-36809, DTXCID901808, CHEBI:28054, ortho-Hydroxytoluene, RefChem:855225, 202-423-8, Cresol, ortho-, Cresol, o-, o-Kresol [German], 2-methyl-phenol, Cresol, o-isomer, MFCD00002226, NSC 23076, TOLUENE,2-HYDROXY  (ORTHO-CRESOL), o-Cresol [UN2076]  [Poison, Corrosive], 2-Methylphenol; o-Cresol, WLN: QR B1, hydroxy toluene, CAS-95-48-7, Orthocresol [NF], CCRIS 646, HSDB 1813, EINECS 202-423-8, UNII-YW84DH5I7U, ortho cresol, 2-methyiphenol, AI3-00137, JZ0, Carvacrol derivative, 9, O-CRESOL [FHFI], o-Cresol, >=99%, O-CRESOL [MI], ORTHOCRESOL [HSDB], bmse000433, EC 202-423-8, 2-Methylphenol (o-cresol), ortho-cresol,2-methylphenol, SCHEMBL16002, SCHEMBL26070, SCHEMBL28525, SCHEMBL28526, SCHEMBL49378, SCHEMBL62327, SCHEMBL75115, MLS002454426, o-Cresol, analytical standard, BIDD:ER0677, CHEMBL46931, SCHEMBL314757, SCHEMBL641388, SCHEMBL864367, SCHEMBL9732580, SCHEMBL29395276, SCHEMBL29432214, 2-Hydroxytoluene; 2-Methylphenol, BDBM248166, HMS2268O24, ORTHOCRESOL [USP IMPURITY], o-Cresol, for synthesis, 99.3%, 2-Methylphenol, analytical standard, CIA32550, MSK21110, NSC23076, NSC36809, Tox21_202305, Tox21_300021, EBC-46253, SBB060100, STL194295, o-Cresol, ReagentPlus(R), >=99%, AKOS000119021, MSK21110-1000M, NCGC00091534-01, NCGC00091534-02, NCGC00091534-03, NCGC00091534-04, NCGC00254140-01, NCGC00259854-01, o-Cresol, SAJ first grade, >=97.0%, SMR001252248, 2-Methylphenol 100 microg/mL in Methanol, METACRESOL IMPURITY B [EP IMPURITY], NS00003545, o-Cresol Solution in Methanol, 1000_g/mL, ST51046340, EN300-19429, C01542, F239923, Q312708, Amylmetacresol EP Impurity B; Metacresol EP Impurity B, F0001-2271, Z104473822, InChI=1/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H, 25134-02-5
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: Crystals in liquid becoming dark with age and exposure to light and air
color: Crystals in liquid becoming dark with age and exposure to light and air
odor: Phenolic odor
boiling_point: 376 °F at 760 mmHg (EPA, 1998)
melting_point: 88 °F (EPA, 1998)
density: 1.047 at 68 °F (EPA, 1998) - Denser than water; will sink
solubility: less than 1 mg/mL at 66 °F (NTP, 1992)
flash_point: 177.8 to 181.4 °F (EPA, 1998)
vapor_pressure: 1 mmHg at 100.76 °F (EPA, 1998)
Descriptions:
pubchem: O-cresol is a cresol that is phenol substituted by a methyl group at position 2. It is a minor urinary metabolite of toluene. It has a role as a human xenobiotic metabolite.
chebi: A cresol that is phenol substituted by a methyl group at position 2. It is a minor urinary metabolite of toluene.
chembl: ORTHOCRESOL is a small molecule listed in the ChEMBL database and has reached clinical trial phase -1.0.
wikipedia: ortho-Cresol (IUPAC name: 2-methylphenol, also known as 2-hydroxytoluene or ortho-toluenol) 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 p-cresol and m-cresol.