Basic information
- CAS
33403-20-2- Standard SMILES
CC(C)c1cc(CO)cc(C(C)C)c1O- InChIKey
VYUAKHHQSWENSJ-UHFFFAOYSA-N- Molecular formula
- C13H20O2
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.14632988
Names & identifiers
- Preferred name
- 4-(Hydroxymethyl)-2,6-diisopropylphenol
- IUPAC
- 4-(hydroxymethyl)-2,6-di(propan-2-yl)phenol
- English name
- Benzenemethanol, 4-hydroxy-3,5-bis(1-methylethyl)-
- Molecular formula
- C13H20O2
- Molecular weight
- 208.3
Names & synonyms
4-(Hydroxymethyl)-2,6-diisopropylphenol33403-20-2MFCD24715653SCHEMBL26800584-(hydroxymethyl)-2,6-diisopropyl-phenol4-(hydroxymethyl)-2,6-di(propan-2-yl)phenolF73523Benzenemethanol, 4-hydroxy-3,5-bis(1-methylethyl)-
Database identifiers
- CAS
33403-20-2- PubChem CID
- 11031055
- Nikkaji
- J997.132G
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Boiling point
- 317.3 · 317.3±37.0 °C(Predicted)
- Density
- 1.032 · 1.032±0.06 g/cm3(Predicted)
- pka
- 10.8 · 10.80±0.23(Predicted)
Chemistry & industry
Suppliers11 total
安徽合诺生物科技有限公司0555-2761852
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安徽合诺生物科技有限公司18455579438
河南东元化工科技有限公司16696119288 · [email protected]
上海瀚思化工有限公司18916268197 · [email protected]
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
河南普赛化工产品有限公司0371-60919097 15378766539 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
郑州浩创新材料有限公司19139721821; 19139721821 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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