2-Hydroxy-5-tert-butylbenzyl alcohol
Basic information
- CAS
6638-87-5- Standard SMILES
CC(C)(C)c1ccc(O)c(CO)c1- InChIKey
YBCYCPJHEXJDAN-UHFFFAOYSA-N- Molecular formula
- C11H16O2
- Average molar mass
- 180.24 g/mol
- Monoisotopic mass
- 180.11502975
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-Hydroxy-5-tert-butylbenzyl alcohol
- IUPAC
- 4-tert-butyl-2-(hydroxymethyl)phenol
- English name
- 2-hydroxy-5-tert-butylbenzyl alcohol
- Molecular formula
- C11H16O2
- Molecular weight
- 180.24
Names & synonyms
6638-87-52-Ohtbubz alcohol2-Hydroxy-5-tert-butylbenzyl alcohol7D5E8G29GINSC-48468DTXSID00216604Benzenemethanol, 5-(1,1-dimethylethyl)-2-hydroxy-RefChem:87450DTXCID901390954-tert-butyl-2-(hydroxymethyl)phenol4-(tert-butyl)-2-(hydroxymethyl)phenolMFCD06202815
Show more names
4-TERT-BUTYL-2-HYDROXYMETHYL-PHENOL
NSC 484685-(1,1-Dimethylethyl)-2-hydroxybenzenemethanolUNII-7D5E8G29GISCHEMBL56360342-hydroxymethyl-p-t-butylphenolSCHEMBL30124085YBCYCPJHEXJDAN-UHFFFAOYSA-N5-t-butyl-2-hydroxybenzyl alcohol
Database identifiers
- CAS
6638-87-5- PubChem CID
- 96020
- DTXSID
DTXSID00216604- UNII
- 7D5E8G29GI
- Nikkaji
- J523.865J
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Melting point
- 90 · 90-91 °C
- Boiling point
- 279.1 · 279.1±10.0 °C(Predicted)
- Density
- 1.07 · 1.070±0.06 g/cm3(Predicted)
- pka
- 10.14 · 10.14±0.18(Predicted)
- FDA UNII
- 7 D5E8G29GI · 7D5E8G29GI
Related reactions
13 records
Compound notes
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