2-(4-Methoxyphenoxy)ethanol
Basic information
- CAS
5394-57-0- Standard SMILES
COc1ccc(OCCO)cc1- InChIKey
OOWGFJQYZCXHEY-UHFFFAOYSA-N- Molecular formula
- C9H12O3
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.07864424
Names & identifiers
- Preferred name
- 2-(4-Methoxyphenoxy)ethanol
- IUPAC
- 2-(4-methoxyphenoxy)ethanol
- English name
- 2-(4-Methoxyphenoxy)ethan-1-ol
- Molecular formula
- C9H12O3
- Molecular weight
- 168.19
Names & synonyms
2-(4-Methoxyphenoxy)ethanol5394-57-0Ethanol, 2-(4-methoxyphenoxy)-2-(4'-Methoxyphenoxy)ethanolDTXSID00277432Ethanol, 2-[4-methoxyphenoxy]-RefChem:84446DTXCID50228590653-717-1OOWGFJQYZCXHEY-UHFFFAOYSA-N2-(4-methoxyphenoxy)ethan-1-ol2-(4-Methoxyphenoxy)-1-ethanol
Show more names
MFCD000165684-(2-Hydroxyethoxy)anisoleNSC-2329NSC23299PTZ5E32HVSCHEMBL77535CHEMBL74201SCHEMBL3332304
Database identifiers
- CAS
5394-57-0- PubChem CID
- 220079
- DTXSID
DTXSID00277432- ChEMBL
CHEMBL74201- UNII
- 9PTZ5E32HV
- EC Number
- 653-717-1
- Nikkaji
- J211.580H
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 108
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2909309090 · 2909309090
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 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Safety data
- hs_code
- 2909309090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses2-(4-Methoxyphenoxy)ethanol is a useful compound for preparation of benzannulated and spirobenzannulated compounds.
Related reactions
9 records
Compound notes
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