Compound: guaiacol
SMILES: O(c1c(O)cccc1)C
InChIKey: LHGVFZTZFXWLCP-UHFFFAOYSA-N
Synonyms: guaiacol, 2-Methoxyphenol, 90-05-1, o-Methoxyphenol, 2-Hydroxyanisole, o-Guaiacol, Guaiastil, o-Hydroxyanisole, Phenol, 2-methoxy-, Pyroguaiac acid, Anastil, 1-Hydroxy-2-methoxybenzene, Pyrocatechol monomethyl ether, Guaicol, Phenol, o-methoxy-, Guaicolina, Guajol, Guasol, O-Methyl catechol, Creodon, 2-Methoxy-Phenol, Guajacol, Guajakol, Catechol monomethyl ether, FEMA No. 2532, Pyrocatechol methyl ester, (mu)-methoxyphenol, NSC 3815, DTXSID0023113, 2-methoxyl-4-vinylphenol, 6JKA7MAH9C, NSC-3815, AI3-05615, DTXCID003113, CHEBI:28591, Catechol, Methyl, 2-Hydroxy-Anisole, RefChem:5871, 201-964-7, Methylcatechol, Methoxyphenol, 2-methoxy phenol, Guaiacol [JAN], guiacol, Methylcatachol, 9009-62-5, o-methoxy-Phenol, MFCD00002185, Guaiacol (JAN), Creodon (TN), 2-methoxyphenol (guaiacol), CHEMBL13766, Phenol, methoxy-, NCGC00090827-02, NCGC00090827-04, Guajakol [Czech], Guaiacol (natural), ortho-Guaiacol, CAS-90-05-1, CCRIS 2943, Guaiacol [JAN:NF], HSDB 4241, SR-01000838056, EINECS 201-964-7, UNII-6JKA7MAH9C, Phen-2,3,4,5-d4-ol-d,6-methoxy-(8ci,9ci), Creasote, methoxy phenol, 6-methoxyphenol, hydroxyl anisole, omicron-guaiacol, o-Guiacol, o--methoxyphenol, orthomethoxyphenol, Guaiacol CRS, ortho-methoxyphenol, JZ3, Guaiacol (Standard), 2-(methyloxy)phenol, GUAIACOL [FHFI], GUAIACOL [HSDB], GUAIACOL [MI], GUAIACOL [VANDF], Catechol mono methyl ether, DSSTox_CID_3113, GUAIACOL [MART.], bmse000436, bmse010027, GUAIACOL [USP-RS], GUAIACOL [WHO-DD], EC 201-964-7, Guaiacol, puriss., 99%, WLN: QR BO1, 2-Methoxy-d3-phenol--d4, DSSTox_RID_77552, 3-methoxy-4-hydroxy benzene, DSSTox_GSID_24853, SCHEMBL21626, SCHEMBL54887, ghl.PD_Mitscher_leg0.900, guaiacol (liquid) extra pure, Guaiacol, oxidation indicator, MLS001055375, SCHEMBL182716, SCHEMBL248531, SCHEMBL316773, orb1309060, orb3140913, SCHEMBL1031009, SCHEMBL1372972, SCHEMBL4629044, SCHEMBL5106568, GUAIACOL [EP MONOGRAPH], GUAIACOL [USP IMPURITY], para-Substituted 2-methoxyphenol, SCHEMBL29454477, HY-N1380R, NSC3815, Guaiacol, natural, >=99%, FG, HMS2089D18, HMS2233P04, HMS3372N11, HMS3715E11, HMS5082K19, Pharmakon1600-01506165, CS-D1347, HY-N1380, STR03604, Tox21_111031, Tox21_201136, Tox21_202990, Tox21_400004, BDBM50240369, EBC-13356, Guaiacol; Guaifenesin EP Impurity A, MSK010009, NSC760376, s3872, SBB058681, STL281868, AKOS000118831, CCG-214035, DB11359, FM25315, NSC-760376, PB43791, PS-3252, Guaiacol, SAJ first grade, >=98.0%, NCGC00090827-01, NCGC00090827-03, NCGC00090827-05, NCGC00090827-06, NCGC00090827-07, NCGC00258688-01, NCGC00260535-01, AC-34997, Guaiacol, Vetec(TM) reagent grade, 98%, SMR000059155, SY048708, CAS-8021-39-4, DB-024854, GUAIFENESIN IMPURITY A [EP IMPURITY], M0121, NS00010812, ST50214385, EN300-19498, C01502, C23050, D00117, F70227, AB00876226-06, AB00876226_07, F241127, Q412403, SR-01000838056-2, SR-01000838056-3, BRD-K96282009-001-08-8, F2173-0425, Guaiacol, European Pharmacopoeia (EP) Reference Standard, Z104474028, Guaiacol, United States Pharmacopeia (USP) Reference Standard, InChI=1/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H, Guaiacol, Pharmaceutical Secondary Standard; Certified Reference Material, 26247-00-7
Theoretical properties:
molecular_formula: C7H8O2
molecular_weight: 124.14 g/mol
exact_mass: 124.052429494 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 1
heavy_atom_count: 9
topological_polar_surface_area: 29.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Faintly yellowish, limpid, oily liquid or yellow crystals
color: Faintly yellowish, limpid, oily liquid or yellow crystals
odor: Aromatic odor
boiling_point: 399 to 403 °F at 760 mmHg (NTP, 1992)
melting_point: SOLIDIFIES at 82.4 °F (NTP, 1992)
density: 1.13 at 70.5 °F (NTP, 1992) - Denser than water; will sink
solubility: Slightly soluble (NTP, 1992)
flash_point: 180 °F (NTP, 1992)
vapor_pressure: 5 mmHg at 174 °F (NTP, 1992)
Descriptions:
pubchem: Guaiacol is a monomethoxybenzene that consists of phenol with a methoxy substituent at the ortho position. It has a role as a disinfectant, a plant metabolite, an expectorant and an EC 1.1.1.25 (shikimate dehydrogenase) inhibitor. It is functionally related to a catechol.
chebi: A  monomethoxybenzene that consists of phenol with a methoxy substituent at the <em>ortho</em> position.
chembl: GUAIACOL is a small molecule listed in the ChEMBL database and has reached clinical trial phase 3.0.
wikipedia: Guaiacol () is an organic compound with the formula C6H4(OH)(OCH3). It is a phenolic compound containing a methoxy functional group. Guaiacol appears as a viscous colorless oil, although aged or impure samples are often yellowish.  It occurs widely in nature and is a common product of the pyrolysis of wood.