Basic information
- CAS
6565-70-4- Standard SMILES
CCCCCCCCc1ccc(O)cc1O- InChIKey
JPUHXNRAGDKQRD-UHFFFAOYSA-N- Molecular formula
- C14H22O2
- Average molar mass
- 222.32 g/mol
- Monoisotopic mass
- 222.16197994
Names & identifiers
- Preferred name
- 4-Octylresorcinol
- IUPAC
- 4-octylbenzene-1,3-diol
- English name
- 4-octylbenzene-1,3-diol
- Molecular formula
- C14H22O2
- Molecular weight
- 222.32
Names & synonyms
4-Octylresorcinol6565-70-4Octylresorcinol1,3-Benzenediol, 4-octyl-Resorcinol, 4-octyl-Recorsinol, 4-octyl-BRN 2558780UNII-U6Q4P7022UAI3-08060U6Q4P7022UOCTYLRESORCINOL, 4-DTXSID4041525
Show more names
4-OCTYL-1,3-BENZENEDIOL3-06-00-04734 (Beilstein Handbook Reference)RefChem:100249DTXCID20215254-octylbenzene-1,3-diol1,3-Benzenediol,4-octyl-MFCD016847584-n-octyl resorcinol
Database identifiers
- CAS
6565-70-4- PubChem CID
- 201683
- DTXSID
DTXSID4041525- UNII
- U6Q4P7022U
- Nikkaji
- J48.384B
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Melting point
- 65 · 65-70 °C
- Boiling point
- 185 · 185-188 °C(Press: 5 Torr)
- Density
- 1.019 · 1.019±0.06 g/cm3(Predicted)
- pka
- 9.97 · 9.97±0.20(Predicted)
- FDA UNII
- 6 Q4P7022U · U6Q4P7022U
- EPA Substance Registry System
- 4 · 4-Octylresorcinol (6565-70-4)
Chemistry & industry
Suppliers12 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Xiamen Work-For-World Medicine Co.,Ltd.15921822462 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
上海瀚思化工有限公司18916268197 · [email protected]
温州共赢化学有限公司0577-64498589 15325081899 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
2 records
Compound notes
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