Phenol
PubChem CID: 996
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| Compound Synonyms | phenol, 108-95-2, carbolic acid, Hydroxybenzene, Phenic acid, Oxybenzene, Benzenol, Phenylic acid, Phenylic alcohol, Monophenol, Phenyl hydrate, Phenyl hydroxide, PhOH, Monohydroxybenzene, Paoscle, Phenole, Izal, Phenyl alcohol, Phenol alcohol, Acide carbolique, Phenol, liquefied, Fenolo, Carbolsaure, Phenosmolin, Fenol, Liquid phenol, Phenol, pure, Benzene, hydroxy-, Rcra waste number U188, Liquefied phenol, Liquified Phenol, Carbolicum acidum, Fenolo [Italian], NCI-C50124, Phenole [German], Campho-Phenique Gel, phenylalcohol, UN 2312 (molten), Phenol [JAN], UN 1671 (solid), Phenic, Carbolsaure [German], Caswell No. 649, Campho-Phenique Liquid, Phenol, molten, 2-allphenol, Baker's P & S liquid & Ointment, Fenol [Dutch, Polish], NSC 36808, Phenol, liquified, Baker's P and S Liquid and Ointment, Monohydroxy benzene, Acide carbolique [French], CCRIS 504, MFCD00002143, Campho-Phenique Cold Sore Gel, Carbolsaeure, FEMA No. 3223, Karbolsaeure, HSDB 113, Phenoxy, acide phenique, DTXSID5021124, Phenic alcohol, Phenol,liquified, Synthetic phenol, Phenol, dimer, AI3-01814, RCRA waste no. U188, EINECS 203-632-7, UNII-339NCG44TV, NSC-36808, UN1671, UN2312, UN2821, EPA Pesticide Chemical Code 064001, 339NCG44TV, CHEBI:15882, Phenol [USP:JAN], ENT-1814, 27073-41-2, CHEMBL14060, DTXCID501124, EC 203-632-7, NSC36808, Phenol, Glass Distilled Under Argon, Phenol, solid [UN1671] [Poison], Phenol (USP:JAN), Phenol, molten [UN2312] [Poison], NCGC00091454-04, Fenosmoline, Fenosmolin, PHENOL (IARC), PHENOL [IARC], PHENOL (USP-RS), PHENOL [USP-RS], PHENOL (II), PHENOL [II], PHENOL (MART.), PHENOL [MART.], Phenol, >=99.0%, 17442-59-0, PHENOL (EP MONOGRAPH), PHENOL [EP MONOGRAPH], PHENOL (USP MONOGRAPH), PHENOL [USP MONOGRAPH], Carbol, 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, METACRESOL IMPURITY A (EP IMPURITY), METACRESOL IMPURITY A [EP IMPURITY], (14C)Phenol, HEXYLRESORCINOL IMPURITY A (EP IMPURITY), HEXYLRESORCINOL IMPURITY A [EP IMPURITY], PHENOL (2,3,4,5,6-D5), arenols, Benzophenol, Karbolsaure, Phylorinol, Ulcerease, Hydroxy-benzene, Phenol liquid, Phenol molten, Fungus Fighte, Phenol synthetic, Pandy's reagent, Cepastat lozenges, Fortinia ID, Phenol, labeled with carbon-14, Acidum Carbolicum, Phenol (liquid), 2-phenyl alcohol, Sore ThroatCherry, Phenol, synthetic, Phenol, ultrapure, ABC Sore Throat, HEB Sore Throat, Phenol ACS grade, RugbyCherry Flavor, Sore ThroatMenthol, Sore Throat Spray, Meijer Sore Throat, Sore Throat Cherry, Sore Throat Relief, Liquefied phenol BP, Paoscle (TN), Topcare Sore Throat, Carbolic acid liquid, Phenol (TN), Phenol,(S), TopCareCherry Flavor, Phenol, ACS reagent, PUBLIX Sore Throat, Carbolic acid, liquid, CepastatExtra Strength, Walgreens Sore Throat, 63496-48-0, Sore ThroatReadyInCase, Vortex Moisturizer Oral, 1ai7, 1li2, 4i7l, Liquefied phenol (TN), DRx Choice Sore Throat, PHENOL [VANDF], Wild Horse 777 Oral, PHENOL [FHFI], PHENOL [HSDB], Sore Throat ReliefCherry, Castellani Paint 1.5%, Phenol (JP18/USP), PHENOL [WHO-DD], Phenol, detached crystals, Pain RelievingPetro Carbo, PHENOL [MI], Phenol, >=99%, Sore Throat ReliefMenthol, WLN: QR, Good Neighbor Sore Throat, Liquefied phenol (JP18), bmse000290, bmse010026, C6H5OH, Fenol(DUTCH, POLISH), NICE SORE THROAT Cherry, PHENOL, 80% in ethanol, Phenol, LR, >=99%, HEB Sore ThroatCherry Flavor, MLS001065591, Phenol (CGA 73330), Phenol, for molecular biology, BIDD:ER0293, Phenol for disinfection (TN), ABC Sore ThroatMenthol Flavor, HEB Sore ThroatMenthol Flavor, NICE SORE THROAT Spearmint, Phenol, natural, 97%, FG, CHLORASEPTIC SORE THROAT, Chloraseptic Sore Throat Cherry, Chloraseptic Sore Throat Citrus, Cuticura pain relieving ointment, Sore Throat ReliefCherry Flavor, CARBOLICUM ACIDUM [HPUS], DTXSID9075294, Phenol, AR, >=99.5%, PHENOL,LIQUIFIED [VANDF], BDBM26187, CHEBI:33853, Phenol for disinfection (JP18), Topcare Sore ThroatMenthol Flavor, 3f39, Phenol 10 microg/mL in Methanol, PUBLIX Sore ThroatMenthol Flavor, Walgreens Sore ThroatCherry Flavor, phenol 0.6% anesthetic oral rinse, Benzenol, Hydrozybenzene, NSC 36808, Tox21_113463, Tox21_201639, Tox21_300042, DRx Choice Sore ThroatMenthol Flavor, Phenol 5000 microg/mL in Methanol, STL194294, AKOS000119025, Eos Medicated Pain Relieving Lip Balm, Tox21_113463_1, DB03255, FP01241, Good Neighbor Sore ThroatCherry Flavor, NA 2821, Phenol, BioXtra, >=99.5% (GC), Phenol, SAJ first grade, >=98.0%, UN 1671, UN 2312, UN 2821, USEPA/OPP Pesticide Code: 064001, 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), NS00010045, P1610, P2771, EN300-19432, C00146, D00033, Phenol, unstabilized, ReagentPlus(R), >=99%, SALICYLIC ACID IMPURITY C [EP IMPURITY], SBI-0653931.0001, Phenol, p.a., ACS reagent, 99.5-100.5%, PUBLIX Sore Throat Fast Relief Oral Anesthetic, Q130336, CVS Health Sore Throat Fast Relief Oral Anesthetic, Phenol, for molecular biology, ~90% (T), liquid, A13-01814, 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, 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), 203-632-7, Phenol, puriss., meets analytical specification of Ph. Eur., BP, USP, >=99.5% (GC), crystalline (detached) |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | ISWSIDIOOBJBQZ-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Substituent Name | Phenol, Hydrocarbon derivative, Organooxygen compound, Aromatic homomonocyclic compound |
| Synonyms | Acide carbolique, Acide phenique, Anbesol, Benzenol, Benzophenol, Campho-phenique cold sore gel, Campho-phenique gel, Campho-phenique liquid, Carbolate, Carbolic acid, Carbolic acid liquid, Carbolic oil, Carbolicum acidum, Carbolsaeure, Carbolsaure, Cepastat lozenges, Cuticura pain relieving ointment, FEMA 3223, Fenol, Fenolo, Fenosmolin, Fenosmoline, Hydroxy-benzene, Hydroxybenzene, IPH, IZAL, Karbolsaeure, Liquefied phenol, Liquid phenol, Liquified phenol, Monohydroxy benzene, Monohydroxybenzene, Monophenol, Oxybenzene, Paoscle, Phenate, Phenic, Phenic acid, Phenic alcohol, Phenol alcohol, Phenol homopolymer, Phenol liquid, Phenol molten, Phenol polymer-bound, Phenol solution, Phenol synthetic, Phenolated water, Phenolated water for disinfection, Phenole, Phenosmolin, Phenyl alcohol, Phenyl hydrate, Phenyl hydroxide, Phenylate, Phenylic acid, Phenylic alcohol, PHOH, Synthetic phenol, Tea polyphenol, Phenol for disinfection, Phenol, liquefied, Phenol, sodium salt, Phenolate sodium, Carbol, Phenolate, sodium, Sodium phenolate |
| Heavy Atom Count | 7.0 |
| Compound Name | Phenol |
| Kingdom | Organic compounds |
| Description | It is used as a flavouring agent in a few foods, at maximum levels below 10 ppm Phenol, also known as carbolic acid, is an organic compound with the chemical formula C6H5OH. It is a white crystalline solid. The molecule consists of a phenyl (-C6H5), bonded to a hydroxyl (-OH) group. It is produced on a large scale (about 7 billion kg/year) as a precursor to many materials and useful compounds. Phenol is found in many foods, some of which are sweet marjoram, highbush blueberry, orange bell pepper, and tamarind. |
| Exact Mass | 94.0419 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 94.0419 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 46.1 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 94.11 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Enzyme Uniprot Id | Q15166, P27169, Q15165, O95336, P11413, P50225, P50226, P50224, P52209 |
| Uniprot Id | Q15166, P27169, Q15165, O95336, P11413, P50225, P50226, P50224, P22309, P52209, Q9UKG4, A9Z1X1 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | phenol |
| Total Atom Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Total Bond Stereocenter Count | 0.0 |
| Class | Benzene and substituted derivatives |
| Inchi | InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H |
| Smiles | C1=CC=C(C=C1)O |
| Xlogp | 1.5 |
| Superclass | Benzenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Subclass | Phenols and derivatives |
| Taxonomy Direct Parent | 1-hydroxy-4-unsubstituted benzenoids |
| Molecular Formula | C6H6O |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Dracunculus (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Asparagus Officinalis (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Carthamus Tinctorius (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Cinnamomum Verum (Plant) Rel Props:Source_db:fooddb_chem_all - 6. Outgoing r'ship
FOUND_INto/from Lycopersicon Esculentum (Plant) Rel Props:Source_db:fooddb_chem_all - 7. Outgoing r'ship
FOUND_INto/from Origanum Majorana (Plant) Rel Props:Source_db:fooddb_chem_all - 8. Outgoing r'ship
FOUND_INto/from Satureja Montana (Plant) Rel Props:Source_db:fooddb_chem_all - 9. Outgoing r'ship
FOUND_INto/from Sesamum Indicum (Plant) Rel Props:Source_db:fooddb_chem_all - 10. Outgoing r'ship
FOUND_INto/from Tamarindus Indica (Plant) Rel Props:Source_db:fooddb_chem_all - 11. Outgoing r'ship
FOUND_INto/from Vaccinium Corymbosum (Plant) Rel Props:Source_db:fooddb_chem_all - 12. Outgoing r'ship
FOUND_INto/from Vaccinium Myrtillus (Plant) Rel Props:Source_db:fooddb_chem_all