Basic information
- CAS
64881-05-6- Standard SMILES
COc1cc(CCO)ccc1OCc1ccccc1- InChIKey
VYGZUMHSOJKVSQ-UHFFFAOYSA-N- Molecular formula
- C16H18O3
- Average molar mass
- 258.31 g/mol
- Monoisotopic mass
- 258.12559444
Names & identifiers
- Preferred name
- 2-(4-Benzyloxy-3-methoxy-phenyl)-ethanol
- IUPAC
- 2-(3-methoxy-4-phenylmethoxyphenyl)ethanol
- English name
- 2-(4-Benzyloxy-3-methoxy-phenyl)-ethanol
- Molecular formula
- C16H18O3
- Molecular weight
- 258.31
Names & synonyms
2-(4-BENZYLOXY-3-METHOXY-PHENYL)-ETHANOLRefChem:456808651-857-84-Benzyloxy-3-methoxyphenethyl alcohol64881-05-6Benzeneethanol, 4-benzyloxy-3-methoxy-2-[4-(benzyloxy)-3-methoxyphenyl]ethan-1-olSCHEMBL1322956DTXSID10340328AKOS0243223152-(4-(Benzyloxy)-3-methoxyphenyl)ethanol2-[4-(Benzyloxy)-3-methoxyphenyl]ethanol #
Show more names
2-(3-methoxy-4-phenylmethoxyphenyl)ethanolBenzeneethanol, 3-methoxy-4-(phenylmethoxy)-
Database identifiers
- CAS
64881-05-6- PubChem CID
- 563698
- DTXSID
DTXSID10340328- EC Number
- 651-857-8
- Nikkaji
- J3.259.834J
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Melting point
- 70 · 70-70.5 °C
- Boiling point
- 403 · 403.0±35.0 °C(Predicted)
- Density
- 1.13 · 1.130±0.06 g/cm3(Predicted)
- pka
- 14.79 · 14.79±0.10(Predicted)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273-P391-P501
Safety & regulation
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Suppliers3 total
济南可为生物科技有限公司15315592897 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
Related reactions
2 records
Compound notes
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