[2-(2-Ethylhexoxy)-4-(hydroxymethyl)-5-methoxyphenyl]methanol
Basic information
- CAS
245731-58-2- Standard SMILES
CCCCC(CC)COc1cc(CO)c(OC)cc1CO- InChIKey
PSRBIXMJUOUTQH-UHFFFAOYSA-N- Molecular formula
- C17H28O4
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.19875937
Names & identifiers
- Preferred name
- [2-(2-Ethylhexoxy)-4-(hydroxymethyl)-5-methoxyphenyl]methanol
- IUPAC
- [2-(2-ethylhexoxy)-4-(hydroxymethyl)-5-methoxyphenyl]methanol
- English name
- 2-Methoxy-5-(2'-ethylhexyloxy)-1 4-bis(&
- Molecular formula
- C17H28O4
- Molecular weight
- 296.4
Names & synonyms
245731-58-2[2-(2-ethylhexoxy)-4-(hydroxymethyl)-5-methoxyphenyl]methanol(2-(2-ethylhexyloxy)-5-methoxy-1,4-phenylene)dimethanol(2-((2-Ethylhexyl)oxy)-5-methoxy-1,4-phenylene)dimethanol1,4-Benzenedimethanol, 2-[(2-ethylhexyl)oxy]-5-methoxy-{2-[(2-Ethylhexyl)oxy]-5-methoxy-1,4-phenylene}dimethanol2-(2-Ethylhexyloxy)-5-methoxy-1,4-benzenedimethanolSCHEMBL3475893DTXSID50399330MFCD034272312-METHOXY-5-(2'-ETHYLHEXYLOXY)-1 4-BIS(&2-Methoxy-5-(2'-ethylhexyloxy)-1,4-bis(hydroxymethyl)benzene, 98%
Show more names
2-(2-Ethylhexyloxy)-5-methoxy-1,4-benzenedimethanol, 98%2-Methoxy-5-(2′-ethylhexyloxy)-1,4-bis(hydroxymethyl)benzene, CAS 245731-58-2
Database identifiers
- CAS
245731-58-2- PubChem CID
- 4101461
- DTXSID
DTXSID50399330
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Melting point
- 63.4 · 63.4-64.5 °C(lit.)
- Boiling point
- 442.6 · 442.6±40.0 °C(Predicted)
- Density
- 1.054 · 1.054±0.06 g/cm3(Predicted)
- pka
- 14.08 · 14.08±0.10(Predicted)
- Sensitive
- Air Sensitive
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
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