Compound: phenol
SMILES: Oc1ccccc1
InChIKey: ISWSIDIOOBJBQZ-UHFFFAOYSA-N
Synonyms: phenol, 108-95-2, carbolic acid, Hydroxybenzene, Phenic acid, Oxybenzene, Benzenol, Phenylic acid, Phenylic alcohol, Monophenol, Phenyl hydrate, Phenyl hydroxide, PhOH, Monohydroxybenzene, Paoscle, Izal, Phenyl alcohol, Phenole, Phenol alcohol, Acide carbolique, Phenol, liquefied, Fenolo, Carbolsaure, Fenol, Liquid phenol, Liquefied phenol, Phenol, pure, Fenosmolin, Fenosmoline, Rcra waste number U188, Liquified Phenol, Phenol, molten, Carbolicum acidum, NCI-C50124, Baker's P & S liquid & Ointment, Baker's P and S Liquid and Ointment, Caswell No. 649, 2-allphenol, Phenol, liquified, Carbolsaeure, Karbolsaeure, DTXSID5021124, Phenol,liquified, NSC-36808, 339NCG44TV, ENT-1814, DTXCID501124, CHEBI:15882, NSC36808, hydron;phenoxide, Phylorinol, Topcare, Ulcerease, Carbol, Acid Carbolicum, Fungus Fighter, Fungus Fighte, Liver Supplement, Sore Throat, Fortinia ID, Acidum Carbolicum, ABC Sore Throat, CVS Sore Throat, HEB Sore Throat, Phenolate, Sodium, Sore Throat Spray, Meijer Sore Throat, Sore Throat Cherry, Rugby Cherry Flavor, Sore Throat Menthol, Topcare Sore Throat, S.b. ward, PUBLIX Sore Throat, Walgreens Sore Throat, TopCare Cherry Flavor, RefChem:6668, Sore Throat Readyincase, Vortex Moisturizer Oral, DRx Choice Sore Throat, CVS Sore Throat Cherry, Wild Horse 777 Oral, Castellani Paint 1.5%, Good Neighbor Sore Throat, Sore Throat Relief Cherry, Pain Relieving Petro Carbo, Sore Throat Relief Menthol, NICE SORE THROAT Cherry, CEPASTAT EXTRA STRENGTH, NICE SORE THROAT Spearmint, CHLORASEPTIC SORE THROAT, HEB Sore Throat Cherry Flavor, Chloraseptic Sore Throat Cherry, Chloraseptic Sore Throat Citrus, ABC Sore Throat Menthol Flavor, CVS Sore Throat Menthol Flavor, HEB Sore Throat Menthol Flavor, Chloraseptic Sore Throat Menthol, Chloraseptic Warming Sore Throat, NICE SORE THROAT Honey Lemon, Sore Throat Relief Cherry Flavor, Diabetic Tussin Sore Throat Cherry, phenol 0.6% anesthetic oral rinse, PUBLIX Sore Throat Menthol Flavor, Topcare Sore Throat Menthol Flavor, Walgreens Sore Throat Cherry Flavor, DRx Choice Sore Throat Menthol Flavor, Eos Medicated Pain Relieving Lip Balm, Sterile Diluent for Allergenic Extract, Bestmade Natural Products Carbolic Acid, Good Neighbor Sore Throat Cherry Flavor, Chloraseptic Childrens Sore Throat Cherry, PUBLIX Sore Throat Fast Relief Oral Anesthetic, CVS Health Sore Throat Fast Relief Oral Anesthetic, 203-632-7, Phenosmolin, Benzene, hydroxy-, Fenolo [Italian], Phenole [German], Campho-Phenique Gel, Phenol [JAN], Phenic, Carbolsaure [German], Campho-Phenique Liquid, Fenol [Dutch, Polish], MFCD00002143, NSC 36808, Monohydroxy benzene, UN 2312 (molten), Acide carbolique [French], UN 1671 (solid), Campho-Phenique Cold Sore Gel, Phenic alcohol, Synthetic phenol, Phenol, dimer, RCRA waste no. U188, UN2312, UN2821, AI3-01814, 27073-41-2, CHEMBL14060, Phenol, Glass Distilled Under Argon, 17442-59-0, Phenol, solid [UN1671]  [Poison], Phenol, molten [UN2312]  [Poison], NCGC00091454-04, Phenol, >=99.0%, IPH, phenylalcohol, hydroxy benzene, Phenol 100 microg/mL in Methanol, Phenol, liquid, Phenol, solid, Benzenol; Hydroxybenzene; NSC 36808, Baker's p and s, CAS-108-95-2, CCRIS 504, FEMA No. 3223, HSDB 113, (14C)Phenol, Phenol [USP:JAN], PHENOL (2,3,4,5,6-D5), EINECS 203-632-7, EPA Pesticide Chemical Code 064001, arenols, UNII-339NCG44TV, Benzophenol, Hydrozybenzene, acide phenique, Hydroxy-benzene, Phenol liquid, Phenol molten, Phenol synthetic, Pandy's reagent, Cepastat lozenges, Phenol, labeled with carbon-14, Phenol (liquid), 2-phenyl alcohol, Phenol, synthetic, Phenol, ultrapure, Phenol ACS grade, Paoscle (TN), Carbolic acid liquid, Phenol (NIST), Phenol, ACS reagent, Carbolic acid, liquid, 63496-48-0, Water-Saturated Phenol, 1ai7, 1li2, 4i7l, PHENOL [VANDF], PHENOL [FHFI], PHENOL [HSDB], PHENOL [IARC], SCHEMBL48, Phenol (JP18/USP), PHENOL [USP-RS], PHENOL [WHO-DD], Phenol, detached crystals, PHENOL [II], PHENOL [MI], Phenol, >=99%, PHENOL [MART.], WLN: QR, Liquefied phenol (JP18), Salicylic Acid Impurity 9, bmse000290, bmse010026, C6H5OH, Fenol(DUTCH, POLISH), EC 203-632-7, SCHEMBL2350, SCHEMBL3290, SCHEMBL4037, PHENOL, 80% in ethanol, Phenol, LR, >=99%, SCHEMBL10428, MLS001065591, Phenol (CGA 73330), Phenol, for molecular biology, BIDD:ER0293, PHENOL [EP MONOGRAPH], SCHEMBL167552, SCHEMBL496777, SCHEMBL744464, Phenol, natural, 97%, FG, PHENOL [USP MONOGRAPH], SCHEMBL1642833, SCHEMBL1644243, SCHEMBL1644245, SCHEMBL1713042, SCHEMBL2640831, Cuticura pain relieving ointment, CARBOLICUM ACIDUM [HPUS], Phenol, AR, >=99.5%, PHENOL,LIQUIFIED [VANDF], SCHEMBL10939954, SCHEMBL20421902, SCHEMBL22284125, SCHEMBL22284137, BDBM26187, CHEBI:33853, Phenol for disinfection (JP18), MSK7905, 3f39, Phenol 10 microg/mL in Methanol, Phenol; Pirfenidone EP Impurity C, Tox21_113463, Tox21_201639, Tox21_300042, EBC-26037, Phenol 5000 microg/mL in Methanol, STL194294, AKOS000119025, Tox21_113463_1, DB03255, FP01241, NA 2821, Phenol, BioXtra, >=99.5% (GC), Phenol, SAJ first grade, >=98.0%, UN 1671, UN 2312, UN 2821, NCGC00091454-01, NCGC00091454-02, NCGC00091454-03, NCGC00091454-05, NCGC00091454-06, NCGC00091454-07, NCGC00254019-01, NCGC00259188-01, Phenol, JIS special grade, >=99.0%, 73607-76-8, BP-30160, METHYL SALICYLATE IMPURITY B [EP], SMR000568492, Phenol 1000 microg/mL in Dichloromethane, Phenol, PESTANAL(R), analytical standard, Liquified Phenol (contains 7-10 % water), METACRESOL IMPURITY A [EP IMPURITY], NS00010045, P1610, P2771, EN300-19432, C00146, D00033, Phenol, unstabilized, ReagentPlus(R), >=99%, R00328, SALICYLIC ACID IMPURITY C [EP IMPURITY], SBI-0653931.0001, HEXYLRESORCINOL IMPURITY A [EP IMPURITY], Phenol, p.a., ACS reagent, 99.5-100.5%, Q130336, Phenol, for molecular biology, ~90% (T), liquid, BRD-K76549667-001-04-6, F1908-0106, Phenol, unstabilized, purified by redistillation, >=99%, Z104473830, InChI=1/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7, Phenol, BioUltra, for molecular biology, >=99.5% (GC), Phenol, United States Pharmacopeia (USP) Reference Standard, Liquified Phenol, meets USP testing specifications, >=89.0%, Phenol, BioUltra, for molecular biology, TE-saturated, ~73% (T), phenol;phenol [jan];phenol, pure;phenol phenol [jan] phenol, pure, Phenol water-saturated, stabilised and with separate Tris buffer solution, Phenol, puriss. p.a., ACS reagent, reag. Ph. Eur., 99.0-100.5%, Phenol, contains hypophosphorous as stabilizer, loose crystals, ACS reagent, >=99.0%, Phenol, puriss., meets analytical specification of Ph. Eur., BP, USP, 99.5-100.5% (GC), Phenol, puriss., meets analytical specification of Ph. Eur., BP, USP, >=99.5% (GC), crystalline (detached)
Theoretical properties:
molecular_formula: C6H6O
molecular_weight: 94.11 g/mol
exact_mass: 94.041864811 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 0
heavy_atom_count: 7
topological_polar_surface_area: 20.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless acicular crystals or white, crystalline mass
color: Colorless acicular crystals or white, crystalline mass
odor: Distinct aromatic, somewhat sickening sweet and acrid odor, discernable at 0.5 to 5 ppm
boiling_point: 360 °F at 760 mmHg (NTP, 1992)
melting_point: 109 °F (NTP, 1992)
density: 1.04 at 105.8 °F (USCG, 1999) - Denser than water; will sink
solubility: 50 to 100 mg/mL at 66 °F (NTP, 1992)
flash_point: 175 °F (NTP, 1992)
vapor_pressure: 0.2 mmHg at 68 °F ; 0.35 mmHg at 77 °F (NTP, 1992)
Descriptions:
pubchem: Phenol is an organic hydroxy compound that consists of benzene bearing a single hydroxy substituent. The parent of the class of phenols. It has a role as an antiseptic drug, a disinfectant, a mouse metabolite and a human xenobiotic metabolite. It is a conjugate acid of a phenolate.
chebi: An organic hydroxy compound that consists of benzene bearing a single hydroxy substituent. The parent of the class of phenols.
chembl: PHENOL is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Phenol (also known as carbolic acid, phenolic acid, or benzenol) is an aromatic organic compound with the molecular formula C6H5OH. It is a white crystalline solid that is volatile and can catch fire. 
The molecule consists of a phenyl group (−C6H5) bonded to a hydroxy group (−OH). Mildly acidic, it requires careful handling because it can cause chemical burns. It is acutely toxic and is considered a health hazard.
Phenol was first extracted from coal tar, but today is produced on a large scale (about 7 million tonnes a year) from petroleum-derived feedstocks. It is an important industrial commodity as a precursor to many materials and useful compounds, and is a liquid when manufactured. It is primarily used to synthesize plastics and related materials. Phenol and its chemical derivatives are essential for production of polycarbonates, epoxies, explosives such as picric acid, Bakelite, nylon, detergents, herbicides such as phenoxy herbicides, and numerous pharmaceutical drugs.