((2,2-Dimethoxyethoxy)methyl)benzene
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Basic information
- CAS
127657-97-0- Standard SMILES
COC(COCc1ccccc1)OC- InChIKey
QITBBLPNYKECAZ-UHFFFAOYSA-N- Molecular formula
- C11H16O3
- Average molar mass
- 196.24 g/mol
- Monoisotopic mass
- 196.10994437
Names & identifiers
- Preferred name
- ((2,2-Dimethoxyethoxy)methyl)benzene
- IUPAC
- 2,2-dimethoxyethoxymethylbenzene
- English name
- BENZYLOXYACETALDEHYDE DIMETHYL ACETAL
- Molecular formula
- C11H16O3
- Molecular weight
- 196.24
Names & synonyms
((2,2-dimethoxyethoxy)methyl)benzene[(2,2-dimethoxyethoxy)methyl]benzeneRefChem:389620963-960-8127657-97-0BENZYLOXYACETALDEHYDE DIMETHYL ACETAL2,2-dimethoxyethoxymethylbenzeneBenzene, [(2,2-dimethoxyethoxy)methyl]-MFCD00082233benzyloxyacetaldehyde dimethylacetalSCHEMBL2121585SCHEMBL7643455
Show more names
((2,2-Dimethoxyethoxy)1-((2,2-dimethoxyethoxy)methyl)benzenebenzyl oxyacetoaldehyde dimethyl acetal
BDBM36110DTXSID50427364AKOS009159403AC-33832AS-40713SY109449DB-002292CS-0150653
Database identifiers
- CAS
127657-97-0- PubChem CID
- 7021458
- DTXSID
DTXSID50427364- EC Number
- 963-960-8
- Nikkaji
- J428.628F
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 128
Physicochemical properties
- Boiling point
- 80 · 80-82°C 0,5mm
- Density
- 1 · 1,035 g/cm3
- refractive index
- 1.4895 · 1.4895
- Flash point
- 80 · 80-82°C/0.5mm
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Appearance
- Colorless to light yellow Liquid
- BRN
- 3261948 · 3261948
- CAS DataBase Reference
- 127657 · 127657-97-0
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Safety Statements
- 24 · 24/25
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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