Butylated Hydroxyanisole
PubChem CID: 24667
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Butylhydroxyanisole, Embanox, Antioxyne B, Protex, tert-Butyl-4-methoxyphenol, Butylhydroxyanisolum, FEMA No. 2183, 2(3)-tert-Butyl-4-methoxyphenol, 2(3)-tert-Butyl-4-hydroxyanisole, tert-butyl-p-hydroxyanisole, INS NO.320, INS-320, 3-tertiary-butyl-4-hydroxyanisole, E-320, Butylated hydroxyanisole (NF), 2-tert-butyl-4-methoxyphenol, 3-tert-butyl-4-methoxyphenol, BUTYLATED HYDROXYANISOLE (II), BUTYLATED HYDROXYANISOLE [II], BUTYLATED HYDROXYANISOLE [NF], BUTYLATED HYDROXYANISOLE (IARC), BUTYLATED HYDROXYANISOLE [IARC], Antrancine 12, BUTYLATED HYDROXYANISOLE (MART.), BUTYLATED HYDROXYANISOLE [MART.], Nepantiox 1-F, Nipantiox 1-F, Tenox BHA, Butyl Methoxyphenol, Butyl hydroxyanisole, BUTYLHYDROXYANISOLE (EP MONOGRAPH), BUTYLHYDROXYANISOLE [EP MONOGRAPH], BOA (antioxidant), Sustane 1-F, t-Butyl hydroxyanisole, (1,1-Dimethylethyl)-4-methoxyphenol, Butylohydroksyanizol [Polish], CCRIS 102, EEC No. E320, Premerge plus, Phenol, tert-butyl-4-methoxy-, HSDB 3913, Nepantiox 1F, Nipantiox 1F, Sustane 1F, Butylohydroksyanizol, Nipantiox 1 F, EINECS 246-563-8, tButyl hydroxyanisole, Methoxyphenol, Butyl, 2-terc.Butyl-4-methoxyfenol [Czech], tertButyl4methoxyphenol, tertButyl4hydroxyanisole, 2terc.Butyl4methoxyfenol, Phenol, tertbutyl4methoxy, BHA (ANTIOXIDANT), tert-butyl-4-methylphenol, Anisole, butylated hydroxy, SUSTAN 1-F, UNII-REK4960K2U, SCHEMBL30330, 2-terc.Butyl-4-methoxyfenol, Butylhydroxyanisole (Standard), REK4960K2U, 2(3)-t-butyl-4-methoxyphenol, CHEMBL4296740, DTXSID7020215, CHEBI:76359, HY-B1066R, (1,1Dimethylethyl)4methoxyphenol, CZBZUDVBLSSABA-UHFFFAOYSA-N, DTXCID701285159, HY-B1066, Phenol, (1,1dimethylethyl)4methoxy, BUTYLATED HYDROXYANISOLE [MI], AKOS030526121, BUTYLATED HYDROXYANISOLE [FHFI], BUTYLATED HYDROXYANISOLE [HSDB], CS-4622, BUTYLATED HYDROXYANISOLE [VANDF], BUTYLATED HYDROXYANISOLE [WHO-DD], BUTYLATED HYDROXYANISOLE [WHO-IP], SY010820, BUTYLHYDROXYANISOLUM [WHO-IP LATIN], NS00077208, EC 246-563-8, Q409401, 2-(tert-Butyl)-4-methoxyphenol compound with 3-(tert-butyl)-4-methoxyphenol, 246-563-8, 8003-24-5 |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 26.0 |
| Description | Antioxidant. It is used in foods Butylated hydroxyanisole (BHA) is an antioxidant consisting of a mixture of two isomeric organic compounds, 2-tert-butyl-4-hydroxyanisole and 3-tert-butyl-4-hydroxyanisole. It is prepared from 4-methoxyphenol and isobutylene. It is a waxy solid used in certain amounts as a food additive with the E number E320. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 320.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-tert-butyl-4-methoxyphenol, 3-tert-butyl-4-methoxyphenol |
| Prediction Hob | 0.0 |
| Target Id | NPT967 |
| Molecular Formula | C22H32O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CZBZUDVBLSSABA-UHFFFAOYSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -2.945 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.267 |
| Synonyms | (1,1-Dimethylethyl)-4-methoxy-phenol, (1,1-Dimethylethyl)-4-methoxyphenol, 9CI, 2-(1,1-Dimethylethyl)-4-methoxy-phenol, 2-Butyl-4-hydroxyanisole, 2-Tert-butyl-4-methoxy-phenol, 2-tert-Butyl-4-methoxyphenol, 2(3)-tert-Butyl-4-hydroxyanisole, 3-BHA, 3-t-Butyl-4-hydroxyanisole, 4-Methoxy-2-tert-butylphenol, Antioxyne B, BHA, Butylhydroxyanisole, Embanox, Phenol, (1,1-dimethylethyl)-4-methoxy-, Phenol, 2-(1,1-dimethylethyl)-4-methoxy-, Phenol, 2-tert-butyl-4-methoxy-, Protex, Sustane 1F, Tenox BHA, tert-Butyl-4-methoxyphenol, tert-Butylhydroxyanisole |
| Compound Name | Butylated Hydroxyanisole |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 360.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 360.23 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 360.5 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.197201261538462 |
| Inchi | InChI=1S/2C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12, 1-11(2,3)9-7-8(12)5-6-10(9)13-4/h2*5-7,12H,1-4H3 |
| Smiles | CC(C)(C)C1=C(C=CC(=C1)O)OC.CC(C)(C)C1=C(C=CC(=C1)OC)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitex Rotundifolia (Plant) Rel Props:Source_db:cmaup_ingredients