Basic information
- CAS
1123-65-5- Standard SMILES
Cc1cc(C)c(O)c(C)n1- InChIKey
GWDFAODRANMDFE-UHFFFAOYSA-N- Molecular formula
- C8H11NO
- Average molar mass
- 137.18 g/mol
- Monoisotopic mass
- 137.08406397
Names & identifiers
- Preferred name
- 2,4,6-Trimethyl-3-hydroxypyridine
- IUPAC
- 2,4,6-trimethylpyridin-3-ol
- English name
- 2,4,6-Trimethyl-3-hydroxypyridine
- Molecular formula
- C8H11NO
- Molecular weight
- 137.18
Names & synonyms
1123-65-52,4,6-Trimethyl-3-hydroxypyridineDTXSID70276412RefChem:245814DTXCID802027622,4,6-trimethylpyridin-3-ol3-Pyridinol, 2,4,6-trimethyl-2,4,6-trimethyl-3-pyridinolMFCD00749343SCHEMBL1250322SCHEMBL30837586GWDFAODRANMDFE-UHFFFAOYSA-N
Show more names
3-hydroxy-2,4,6-trimethylpyridine2,4,6-trimethyl-3-hydroxy-pyridineAKOS005266480AS-92776DB-083054H39444
Database identifiers
- CAS
1123-65-5- PubChem CID
- 147625
- DTXSID
DTXSID70276412- Nikkaji
- J2.136.108I
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Melting point
- 137 °C · 137 °C
- Boiling point
- 291.2 · 291.2±35.0 °C(Predicted)
- Density
- 1.055 · 1.055±0.06 g/cm3(Predicted)
- pka
- 11.06 · 11.06±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers7 total
武汉布林科技有限公司3456065315 13260619011 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
济南凯西生物科技有限公司13370511208; 15853141736 · [email protected]
南京质信生物医药科技有限公司15366165407 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
7 records
Compound notes
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