Compound: THYMOL
SMILES: Oc1c(ccc(c1)C)C(C)C
InChIKey: MGSRCZKZVOBKFT-UHFFFAOYSA-N
Synonyms: THYMOL, 89-83-8, 2-Isopropyl-5-methylphenol, 5-Methyl-2-(1-methylethyl)phenol, Thyme camphor, 5-Methyl-2-isopropylphenol, 6-Isopropyl-m-cresol, 3-p-Cymenol, m-Thymol, p-Cymen-3-ol, 3-Hydroxy-p-cymene, Thymic acid, 6-Isopropyl-3-methylphenol, Phenol, 5-methyl-2-(1-methylethyl)-, Isopropyl cresol, Apiguard, 2-isopropyl-5-methyl-phenol, 3-Methyl-6-isopropylphenol, 5-Methyl-2-isopropyl-1-phenol, 1-Hydroxy-5-methyl-2-isopropylbenzene, 5-methyl-2-propan-2-ylphenol, 6-Isopropyl-p-cresol, 1-Methyl-3-hydroxy-4-isopropylbenzene, 2-Hydroxy-1-isopropyl-4-methylbenzene, Cymophenol, alpha-, FEMA No. 3066, 3-Hydroxy-1-methyl-4-isopropylbenzene, IPMP, THYMOLUM, DTXSID6034972, NSC-11215, NSC-47821, NSC-49142, 3J50XA376E, DTXCID4014972, CHEBI:27607, 2 Isopropyl 5 Methylphenol, Tellodont, Tellora, 2 Isopropyl 5 Methyl Phenol, Thergy, Eftab, Sotol, Valda, Influenza Care, Common Colds, Gppe mthwsh tab, Acne Vanish, Acute Bronchitis, Chronic Bronchitis, Acne Vanish Synergy, Common Colds Synergy, Influenza Care Synergy, RefChem:6309, Acute Bronchitis Synergy, Chronic Bronchitis Synergy, Benefect Natural Hand Sanitizer, Acne Vanish Synergy for treatment of Acnes, Cleanwell Natural Orange Vanilla Hand Sanitizer, Cleanwell Natural Original Hand Sanitizer Wipes, Cleanwell Natural Orange Vanilla Hand Sanitizing Wipes, 201-944-8, 5-methyl-2-(propan-2-yl)phenol, Phenol, 2-isopropyl-5-methyl-, p-Cymene, 3-hydroxy-, m-Cresol, 6-isopropyl-, Isopropyl-m-cresol, MFCD00002309, NSC 11215, CHEMBL29411, 5-methyl-2-(1-methylethyl)-phenol, NCGC00159373-02, NCGC00159373-04, Thymol (natural), 5-methyl-2-(methylethyl)phenol, WLN: QR C1 FY1&1, Caswell No. 856A, FEMA Number 3066, CAS-89-83-8, Thymol; 5-Methyl-2-(methylethyl)phenol, CCRIS 7299, HSDB 866, Thymol [JAN:NF], EINECS 201-944-8, EPA Pesticide Chemical Code 080402, Thymate, Thymol crystals, UNII-3J50XA376E, AI3-00708, Thymol, puriss., Thymol CRS, Thymol & propolis, Thymol (Standard), thymol crystal puriss, Thymol, FCC, FG, Thymol, research grade, THYMOLUM [HPUS], Thymol (JP18/NF), THYMOL [VANDF], THYMOL [FHFI], THYMOL [HSDB], THYMOL [FCC], THYMOL [JAN], THYMOL [USP-RS], THYMOL [WHO-DD], THYMOL [II], THYMOL [MI], THYMOL [MART.], EC 201-944-8, Thymol, analytical standard, 2-isopropyl-5-methyl-pheno, Thymol, >=98.5%, SCHEMBL22165, MLS001074692, BIDD:ER0658, THYMOL [EP MONOGRAPH], GTPL2499, orb1303414, orb3139466, SCHEMBL2287151, SCHEMBL4381918, SCHEMBL7953589, SCHEMBL29579824, HY-N6810R, 1e06, HMS2267P15, HMS5084P09, HY-N6810, MSK22552, NSC11215, NSC47821, NSC49142, Tox21_111613, Tox21_300358, BBL011604, BDBM50240432, EBC-12254, s5157, SBB060429, STK397445, phenol, 5-methyl-2-(1-methylethyl), AKOS000119786, Tox21_111613_1, CCG-266209, DB02513, FT47158, KS-5170, LMPR0102090029, MB00129, Thymol, SAJ first grade, >=98.0%, NCGC00159373-03, NCGC00159373-05, NCGC00254459-01, AC-34742, SMR000471893, DB-002030, CS-0008421, M0410, NS00006694, ST50586034, EN300-17999, C09908, D01039, SBI-0653324.0001, Thymol, primary pharmaceutical reference standard, AE-562/43461428, F227085, F996731, Q408883, SR-01000763796, SR-01000763796-2, BRD-K17458574-001-07-7, Thymol, Standard for quantitative NMR, TraceCERT(R), Z57127464, BENZENE,2-HYDROXY,1-ISOPROPYL,4-METHYL   THYMOL, F0001-2201, Thymol, European Pharmacopoeia (EP) Reference Standard, Thymol, United States Pharmacopeia (USP) Reference Standard, Thymol, meets analytical specification of Ph. Eur., BP, NF, 99-101%, Thymol, Pharmaceutical Secondary Standard; Certified Reference Material, InChI=1/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H, 2-Isopropyl-5-methylphenol; 5-Methyl-2-(1-methylethyl)phenol; 5-Methyl-2-isopropylphenol; IPMP; 6-Isopropyl-m-cresol; 6-Isopropyl-3-methylphenol
Theoretical properties:
molecular_formula: C10H14O
molecular_weight: 150.22 g/mol
exact_mass: 150.104465066 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 1
heavy_atom_count: 11
topological_polar_surface_area: 20.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless, translucent crystals or plates from ethyl acetate, acetic acid or dimethyl carbonate
color: Colorless, translucent crystals or plates from ethyl acetate, acetic acid or dimethyl carbonate
odor: Odor of thyme
density: 0.9699 g/cu cm at 25 °C
flash_point: 110 °C (230 °F) (Closed cup)
vapor_pressure: 0.0022 [mmHg]
Descriptions:
pubchem: Thymol is a phenol that is a natural monoterpene derivative of cymene. It has a role as a volatile oil component. It is a monoterpenoid and a member of phenols. It derives from a hydride of a p-cymene.
chebi: A phenol that is a natural monoterpene derivative of cymene.
chembl: THYMOL is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Thymol (also known as 2-isopropyl-5-methylphenol, IPMP), C10H14O, is a monoterpenoid, phenol derivative of p-cymene, isomeric with carvacrol. It occurs naturally in oil of thyme and is extracted from Thymus vulgaris (common thyme), ajwain, and various other plants, as a white crystalline substance with a pleasant aromatic odor.
Thymol provides the distinctive flavor of the culinary herb thyme, also produced from T. vulgaris. Thymol is only slightly soluble in water at neutral pH, but due to deprotonation of the phenol, it is highly soluble in alcohols, other organic solvents, and strongly alkaline aqueous solutions.