sec-Amyltricresol
Basic information
- CAS
8063-33-0- Standard SMILES
CCCC(C)c1cc(C)cc(O)c1- InChIKey
AVGDKTGOMWQRNA-UHFFFAOYSA-N- Molecular formula
- C12H18O
- Average molar mass
- 178.27 g/mol
- Monoisotopic mass
- 178.13576519
Names & identifiers
- Preferred name
- sec-Amyltricresol
- IUPAC
- 3-methyl-5-pentan-2-ylphenol
Names & synonyms
Amyltricresolssec-AmyltricresolAMYLTRICRESOLS, SECONDARY8063-33-0Phenol, methyl(1-methylbutyl)-1J563J41CYAMYLTRICRESOLS (WHO-DD)AMYLTRICRESOLS [WHO-DD]RefChem:884759Phenol, methyl(1methylbutyl)SECONDARY AMYLTRICRESOLSUNII-1J563J41CY
Show more names
3-methyl-5-(pentan-2-yl)phenolDTXSID701001349
Database identifiers
- CAS
8063-33-0- PubChem CID
- 24713
- DTXSID
DTXSID701001349
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 144
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Phenols
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummarySee m-Cresol.
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Related reactions
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Compound notes
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