Basic information
- CAS
65033-20-7- Standard SMILES
COCc1cc(C(C)=O)ccc1O- InChIKey
PSPFTUWBSJMLIV-UHFFFAOYSA-N- Molecular formula
- C10H12O3
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.07864424
Names & identifiers
- Preferred name
- 1-[4-Hydroxy-3-(methoxymethyl)phenyl]ethan-1-one
- IUPAC
- 1-[4-hydroxy-3-(methoxymethyl)phenyl]ethanone
- English name
- 1-(4-Hydroxy-3-methoxymethyl-phenyl)-ethanone
- Molecular formula
- C10H12O3
- Molecular weight
- 180.2
Names & synonyms
1-[4-Hydroxy-3-(methoxymethyl)phenyl]ethan-1-oneDTXSID803684381-(4-hydroxy-3-(methoxymethyl)phenyl)ethan-1-oneRefChem:428934DTXCID90319476980-366-465033-20-71-(4-Hydroxy-3-methoxymethyl-phenyl)-ethanone1-(4-Hydroxy-3-(methoxymethyl)phenyl)ethanone1-[4-hydroxy-3-(methoxymethyl)phenyl]ethanoneSCHEMBL335291QCA03320
Show more names
Ethanone, 1-[4-hydroxy-3-(methoxymethyl)phenyl]-
AKOS000116324EN300-03474G26224
Database identifiers
- CAS
65033-20-7- PubChem CID
- 2392377
- DTXSID
DTXSID80368438- EC Number
- 980-366-4
Properties
Computed structural properties
- XLogP
- 0.9
- 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
- 179
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, 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 CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Suppliers1 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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