| 2D Structure | |
| CID | 957 |
| Target | CYP1A2 |
| IUPAC Name | octan-1-ol |
| InChI | InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3 |
| InChI Key | KBPLFHHGFOOTCA-UHFFFAOYSA-N |
| Canonical SMILES | CCCCCCCCO |
| Isomeric SMILES | CCCCCCCCO |
| Molecular Formula | C8H18O |
| Molecular Weight | 130.23 |
| synonyms | ['1-octanol', 'Octan-1-ol', 'octanol', 'N-octanol', 'Octyl alcohol', 'Capryl alcohol', 'caprylic alcohol', 'Alcohol C-8', 'n-Caprylic alcohol', '1-Octyl alcohol', 'C8 alcohol', 'Octyl alcohol, normal-primary', 'Octyl alcohol, primary', 'Caswell No. 611A', 'n-Capryl alcohol', 'Octyl alcohol (natural)', 'FEMA Number 2800', 'Alcohol C8', 'NSC 9823', 'CCRIS 9099', 'HSDB 700', 'caprylyl alcohol', '2-Capryl alcohol', '1-n-octanol', 'EINECS 203-917-6', 'Lorol C8', 'EPA Pesticide Chemical Code 079037', 'Octanol-(1)', 'DTXSID7021940', 'UNII-NV1779205D', 'CHEBI:16188', 'AI3-02169', 'ALFOL 8 ALCOHOL', '2-Octanol ~99%', 'NSC-9823', '1-OCTANOL [FHFI]', '1-OCTANOL [HSDB]', '1-OCTANOL [MI]', 'Octan-2-ol 98+ %', 'Octyl alcohol normal-primary', 'OCTYL ALCOHOL [FCC]', 'KALCOHL-0898', 'NACOL 8-99 ALCOHOL', 'DTXCID101940', 'N-OCTYL ALCOHOL, PRIMARY', 'EC 203-917-6', 'CO-898', '220713-26-8', 'Octyl alcohol (n)', 'Oktylalkohol', 'nOctanol', 'Oktanol', '1Hydroxyoctane', 'nOctyl alcohol', 'nOctan1ol', 'nCaprylic alcohol', 'HEPTYLCARBINOL', 'Dytol M83', 'Octyl alcohol, normalprimary', 'CAPRYLYL ALCOHOL [INCI]', 'CHEBI:37868', 'USEPA/OPP Pesticide Code: 079037', '249-405-6', '606-925-1', '29063-28-3', 'inchi=1/c8h18o/c1-2-3-4-5-6-7-8-9/h9h,2-8h2,1h', 'kbplfhhgfootca-uhfffaoysa-n', 'un1993', '111-87-5', 'n-Octyl alcohol', 'Heptyl carbinol', '1-Hydroxyoctane', 'Primary octyl alcohol', 'n-Octan-1-ol', 'Octilin', 'Alfol 8', 'Sipol L8', 'Lorol 20', 'Dytol M-83', 'n-Heptyl carbinol', 'EPAL 8', 'octyl-alcohol', 'N-octyl-alcohol', 'Lorol C 8-98', 'FEMA No. 2800', '1-Oktanol', 'MFCD00002988', 'Prim-n-octyl alcohol', 'Emery 3322', 'Emery 3324', '1-OCTANOL-1,1-D2', 'NV1779205D', 'CAS-111-87-5', 'Octanol (all isomers)', 'octylalcohol', '1-Octanol (Standard)', 'bmse000970', 'bmse000980', 'SCHEMBL8822', 'WLN: Q8', 'MLS001055318', 'CHEMBL26215', '1-Octanol, analytical standard', 'GTPL4278', 'BDBM22606', '1-Octanol, anhydrous, >=99%', 'NSC9823', 'HMS3039O07', '1-Octanol, for HPLC, >=99%', 'AAA11187', 'HY-W032013R', '1-Octanol, ACS reagent, >=99%', '1-Octanol, ReagentPlus(R), 99%', 'Tox21_201373', 'Tox21_300096', 'c0045', 'LMFA05000130', 'STL264193', '1-Octanol, >=98%, FCC, FG', '1-Octanol, natural, >=98%, FCC', 'AKOS000120100', 'DB12452', 'HY-W032013', 'NCGC00091003-01', 'NCGC00091003-02', 'NCGC00091003-03', 'NCGC00091003-04', 'NCGC00091003-05', 'NCGC00254099-01', 'NCGC00258924-01', 'BP-21329', 'DA-59946', 'LS-13539', 'SMR000673567', '1-Octanol, puriss., >=99.5% (GC)', '1-Octanol, SAJ first grade, >=75.0%', '1-Octanol, JIS special grade, >=98.0%', 'CS-0076037', 'NS00010163', 'O0036', 'O0212', 'EN300-19311', 'C00756', '1-Octanol, ACS spectrophotometric grade, >=99%', 'Q161666', '1-Octanol [for Determining Partition Coefficients]', 'BRD-K09338665-001-07-1', 'F0001-0248', 'Z104473500', '958E4752-AAC3-4F72-A0BF-02D95F9E8071'] |
From Pubchem