2-Ethoxy-3-methoxybenzaldehyde
Basic information
- CAS
66799-97-1- Standard SMILES
CCOc1c(C=O)cccc1OC- InChIKey
DMPUNCUVRGJYGL-UHFFFAOYSA-N- Molecular formula
- C10H12O3
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.07864424
Names & identifiers
- Preferred name
- 2-Ethoxy-3-methoxybenzaldehyde
- IUPAC
- 2-ethoxy-3-methoxybenzaldehyde
- English name
- 2-Ethoxy-3-methoxybenzaldehyde
- Molecular formula
- C10H12O3
- Molecular weight
- 180.2
Names & synonyms
2-Ethoxy-3-methoxybenzaldehyde66799-97-1Benzaldehyde, 2-ethoxy-3-methoxy-VL8L5E3XPHEINECS 266-483-7NSC-72388AI3-21326DTXSID50216917NSC 72388RefChem:86822DTXCID80139408266-483-7
Show more names
AKOS B014163AKOS BBS-00006747ART-CHEM-BB B014163OTAVA-BB BB70204017332-ETHOXY-3-METHOXYBENZALDEHYDE 98%
MFCD000165842-Ethoxy-3-methoxy-benzaldehyde2-Ethoxy-m-anisaldehydeNSC72388UNII-VL8L5E3XPHNCIOpen2_000589SCHEMBL1125257ALBB-001277
Database identifiers
- CAS
66799-97-1- PubChem CID
- 96406
- DTXSID
DTXSID50216917- UNII
- VL8L5E3XPH
- EC Number
- 266-483-7
- Nikkaji
- J310.152E
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- Boiling point
- 140 °C15 · 140 °C15 mm Hg(lit.)
- Density
- 1.11 g/mL · 1.11 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.536(lit.)
- Flash point
- 230 °F · >230 °F
- CAS DataBase Reference
- 66799 · 66799-97-1(CAS DataBase Reference)
- FDA UNII
- 8 L5E3XPH · VL8L5E3XPH
- Hazard Codes
- Xi
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Applications
Uses2-Ethoxy-3-methoxybenzaldehyde is an important organic synthesis intermediate, mainly used in the production of fragrances, dyes, and pharmaceuticals.
Related reactions
3 records
Compound notes
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