Basic information
- CAS
222031-87-0- Standard SMILES
CC(C)Oc1cccc(C=O)c1O- InChIKey
NZXFTQLSNNUAII-UHFFFAOYSA-N- Molecular formula
- C10H12O3
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.07864424
Names & identifiers
- Preferred name
- 2-Hydroxy-3-Isopropoxybenzaldehyde
- IUPAC
- 2-hydroxy-3-propan-2-yloxybenzaldehyde
- English name
- 2-hydroxy-3-(propan-2-yloxy)benzaldehyde
- Molecular formula
- C10H12O3
- Molecular weight
- 180.2
Names & synonyms
2-HYDROXY-3-ISOPROPOXYBENZALDEHYDE222031-87-0RefChem:473128108-719-2SCHEMBL6565569MB23177DB-1822452-hydroxy-3-(propan-2-yloxy)benzaldehydeBenzaldehyde, 2-hydroxy-3-(1-methylethoxy)-
Database identifiers
- CAS
222031-87-0- PubChem CID
- 12899720
- EC Number
- 108-719-2
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 168
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers3 total
杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…