Basic information
- CAS
122269-03-8- Standard SMILES
CCC(C)(C)c1ccc(O)c(C(C)(C)C)c1- InChIKey
NZRSIUKTGLRKIQ-UHFFFAOYSA-N- Molecular formula
- C15H24O
- Average molar mass
- 220.35 g/mol
- Monoisotopic mass
- 220.18271539
Names & identifiers
- Preferred name
- 2-tert-Butyl-4-(2-methylbutan-2-yl)phenol
- IUPAC
- 2-tert-butyl-4-(2-methylbutan-2-yl)phenol
- English name
- 2-t-butyl-4-(1,1-dimethylpropyl)-phenol
- Molecular formula
- C15H24O
- Molecular weight
- 220.35
Names & synonyms
122269-03-82-tert-Butyl-4-(2-methylbutan-2-yl)phenolDTXSID60563787RefChem:267132DTXCID705145632-(tert-butyl)-4-(tert-pentyl)phenol2-tert-Butyl-4-(1,1-dimethylpropyl)phenolPhenol, 2-(1,1-dimethylethyl)-4-(1,1-dimethylpropyl)-MFCD316191544-t-amyl-2-t-butylphenolSCHEMBL1239911NZRSIUKTGLRKIQ-UHFFFAOYSA-N
Show more names
2-t-butyl-4-(1,1-dimethylpropyl)-phenol
AKOS037446195AS-69240D92878F843895
Database identifiers
- CAS
122269-03-8- PubChem CID
- 14765852
- DTXSID
DTXSID60563787
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Boiling point
- 283.6 · 283.6±9.0 °C(Predicted)
- Density
- 0.926 · 0.926±0.06 g/cm3(Predicted)
- pka
- 11.66 · 11.66±0.31(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P302+P352-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers8 total
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Shanxi Xuanran Import and Export Trade Co., Ltd.+8617735180244 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Related reactions
3 records
Compound notes
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