Basic information
- CAS
125734-44-3- Standard SMILES
CCOC(OCC)c1ccc(CO)cc1- InChIKey
NJIFFRZXYZKPFQ-UHFFFAOYSA-N- Molecular formula
- C12H18O3
- Average molar mass
- 210.27 g/mol
- Monoisotopic mass
- 210.12559444
Names & identifiers
- Preferred name
- Benzenemethanol, 4-(diethoxymethyl)-
- IUPAC
- [4-(diethoxymethyl)phenyl]methanol
- English name
- 4-(Hydroxymethyl)benzaldehyde diethyl acetal
- Molecular formula
- C12H18O3
- Molecular weight
- 210.27
Names & synonyms
125734-44-3Benzenemethanol, 4-(diethoxymethyl)-DTXSID90453864RefChem:324944DTXCID80404683[4-(diethoxymethyl)phenyl]methanol(4-(Diethoxymethyl)phenyl)methanol4-(Diethoxymethyl)benzyl alcoholSCHEMBL4738416NJIFFRZXYZKPFQ-UHFFFAOYSA-NAFA73444DS-018436
Show more names
4-(Diethoxymethyl)benzenemethanol4-(Hydroxymethyl)benzaldehyde diethyl acetal
1-(Diethoxymethyl)-4-(hydroxymethyl)benzeneEN300-6732466
Database identifiers
- CAS
125734-44-3- PubChem CID
- 11063705
- DTXSID
DTXSID90453864- Nikkaji
- J1.996.737I
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Related reactions
5 records
Compound notes
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