Basic information
- CAS
28471-16-1- Standard SMILES
CCCCc1cc(CCCC)c(O)c(CCCC)c1- InChIKey
KHWQFISNNNRGLV-UHFFFAOYSA-N- Molecular formula
- C18H30O
- Average molar mass
- 262.4 g/mol
- Monoisotopic mass
- 262.22966558
Names & identifiers
- Preferred name
- 2,4,6-Tributylphenol
- IUPAC
- 2,4,6-tributylphenol
- English name
- 2,4,6-tributylphenol
- Molecular formula
- C18H30O
- Molecular weight
- 262.4302
Names & synonyms
2,4,6-TributylphenolTributylphenolEINECS 227-480-6Phenol, tributyl-UNII-1UER63R69F1UER63R69FPhenol, 2,4,6-tributyl-DTXSID50974126RefChem:82089DTXCID101401561227-480-6249-041-8
Show more names
28471-16-1EINECS 249-041-85857-00-12,4,6-tri-butylphenolSCHEMBL201691SCHEMBL201692KHWQFISNNNRGLV-UHFFFAOYSA-NNS00046476
Database identifiers
- CAS
28471-16-1、5857-00-1- PubChem CID
- 79960
- DTXSID
DTXSID50974126- UNII
- 1UER63R69F
- EC Number
- 227-480-6、249-041-8
- Nikkaji
- J155.467K
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 196
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 363.5 · 363.5±11.0 °C(Predicted)
- Density
- 0.919 · 0.919±0.06 g/cm3(Predicted)
- pka
- 11.38 · 11.38±0.23(Predicted)
- FDA UNII
- 1 UER63R69F · 1UER63R69F
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…