4-tert-Octylphenol
PubChem CID: 8814
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| Compound Synonyms | 4-tert-Octylphenol, 140-66-9, 4-(2,4,4-trimethylpentan-2-yl)phenol, 4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOL, p-tert-Octylphenol, 4-t-Octylphenol, Phenol, 4-(1,1,3,3-tetramethylbutyl)-, p-Terc.oktylfenol, para-tert-Octylphenol, p-(1,1,3,3-Tetramethylbutyl)phenol, Phenol, p-(tert-octyl)-, p-Octylphenol (VAN), P-T-Octylphenol, Phenol, p-(1,1,3,3-tetramethylbutyl)-, HSDB 5411, UNII-IOY9FVU3J3, IOY9FVU3J3, NSC 5427, EINECS 205-426-2, BRN 0513992, CCRIS 8947, DTXSID9022360, AI3-10011, p-(1',1',3',3'-Tetramethylbutyl)fenol, NSC-5427, NSC-7248, tert-Octylphenol, flaked, MFCD00002368, p-(1,1,3,3-tetramethylbutyl)-phenol, OCTYLPHENOL, 4-TERT-, CHEMBL259327, DTXCID602360, CHEBI:34445, EC 205-426-2, 4-06-00-03484 (Beilstein Handbook Reference), NCGC00164127-02, NCGC00164127-03, p-(1',1',3',3'-Tetramethylbutyl)phenol, 4-(2,4,4-TRIMETHYL-2-PENTANYL)PHENOL, p-(1,3,3-Tetramethylbutyl)phenol, 4-(1,3,3-Tetramethylbutyl)phenol, p-terc.Oktylfenol [Czech], p-(1',3',3'-Tetramethylbutyl)phenol, CAS-140-66-9, p-(tert-octyl)phenol, 4-tertiary-octylphenol, WLN: QR DX1 & 1 & 1X1 & 1 & 1, Octylphenol pt, 4mga, 27L, p-tert.-octylphenol, 4-tert-octyl-phenol, 4-tert.-octylphenol, p-(Tert-octyl)-Phenol, para-tert.-octyl phenol, p-Terc.oktylfenol(Czech), 4-tert-Octylphenol, 97%, SCHEMBL10141, 4-(TERT-OCTYL)PHENOL, BIDD:ER0044, 4-tert-Octylphenol (Standard), HY-B1941R, NSC5427, NSC7248, HY-B1941, Tox21_112084, Tox21_400011, BBL027379, BDBM50423506, STK594853, AKOS005516422, Tox21_112084_1, CCG-275197, 4-(1,1,3,3-tetramethylbutyl)-phenol, 4-tert-Octylphenol, analytical standard, NCGC00164127-01, NCGC00164127-04, NCGC00164127-05, NCGC00164127-06, NCGC00164127-07, NCGC00181157-01, 4-(1,1,3,3-tetramethyl-butyl)-phenol, VS-08533, DB-063344, Phenol, p- (1,1,3,3-tetramethylbutyl)-, CS-0013994, NS00008649, p-(1',1',3', 3'-Tetramethylbutyl)phenol, Phenol, 4- (1,1,3,3-tetramethylbutyl)-, T0144, EN300-20811, E77202, SBI-0653856.0001, SR-01000944308, SR-01000944308-2, 4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOL [HSDB], BRD-K64273664-001-01-6, Q15632771, 4-(1,1,3,3-Tetramethylbutyl)phenol (ACD/Name 4.0), Z104483006, 4-tert-Octylphenol, certified reference material, TraceCERT(R), 205-426-2, InChI=1/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Description | It is used as a food additive . |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 192.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P04278, P51450, P03372, P10828, O94782, O75496, P19838, Q07869, Q9NUW8, P10275, Q16236, Q03181, P04792, P05412 |
| Iupac Name | 4-(2,4,4-trimethylpentan-2-yl)phenol |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Xlogp | 5.0 |
| Superclass | Benzenoids |
| Subclass | Phenylpropanes |
| Molecular Formula | C14H22O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ISAVYTVYFVQUDY-UHFFFAOYSA-N |
| Fcsp3 | 0.5714285714285714 |
| Logs | -4.807 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.486 |
| Synonyms | 4-(1,1,3,3-Tetramethylbutyl)-phenol, 4-(1,1,3,3-Tetramethylbutyl)phenol, 4-t-octylphenol, 4-tert-Octylphenol, p-(1,1,3,3-tetramethylbutyl)-phenol, p-(1,1,3,3-Tetramethylbutyl)phenol, p-(1',1',3', 3'-Tetramethylbutyl)phenol, p-(1',1',3',3'-Tetramethylbutyl)fenol, p-(1',1',3',3'-Tetramethylbutyl)phenol, P-(Tert-octyl)-phenol, P-octylphenol, P-octylphenol (van), P-terc.oktylfenol, P-tert-octylphenol, Para-tert-octylphenol, Phenol, 4-(1,1,3,3-tetramethylbutyl)-, Phenol, p-(1,1,3,3-tetramethylbutyl)-, Phenol, p-(tert-octyl)-, Tert-octylphenol, flaked |
| Substituent Name | Phenylpropane, Phenol, Hydrocarbon derivative, Organooxygen compound, Aromatic homomonocyclic compound |
| Compound Name | 4-tert-Octylphenol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 206.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 206.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 206.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.392439799999999 |
| Inchi | InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3 |
| Smiles | CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Achillea Millefolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Arctium Lappa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Phlegmariurus Fordii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all