2-(5-Isoxazolyl)-4-methylphenol
Basic information
- CAS
104516-57-6- Standard SMILES
Cc1ccc(O)c(-c2ccno2)c1- InChIKey
OZKYVNKXVHASGF-UHFFFAOYSA-N- Molecular formula
- C10H9NO2
- Average molar mass
- 175.18 g/mol
Names & identifiers
- Preferred name
- 2-(5-Isoxazolyl)-4-methylphenol
- IUPAC
- 4-methyl-2-(1,2-oxazol-5-yl)phenol
- English name
- 2-(5-Isoxazolyl)-4-methylphenol
- Molecular formula
- C10H9NO2
- Molecular weight
- 175.18
Names & synonyms
2-(5-Isoxazolyl)-4-methylphenol164171-56-6RefChem:458875623-683-22-isoxazol-5-yl-4-methylphenol4-methyl-2-(1,2-oxazol-5-yl)phenol104516-57-6MFCD00218657Phenol,2-(5-isoxazolyl)-4-methyl-2-(isoxazol-5-yl)-4-methylphenolSCHEMBL16280702-isoxazol-5-yl-4-methyl-phenol
Show more names
5-(2Hydroxyl-5methylphenyl)-isoxazole5-(2'-HYDROXY-5'-METHYLPHENYL)-ISOXAZOLE
(6E)-4-methyl-6-(2H-1,2-oxazol-5-ylidene)cyclohexa-2,4-dien-1-oneAKOS0051750782-(5-Isoxazolyl)-4-methylphenol, 98%BP-12471TS-02419DB-422198ST50827491G84094
Database identifiers
- CAS
104516-57-6- EC Number
- 623-683-2
- Nikkaji
- J996.091K
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 174
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…