1-(Diethoxymethyl)-4-methoxybenzene
Basic information
- CAS
2403-58-9- Standard SMILES
CCOC(OCC)c1ccc(OC)cc1- InChIKey
FTTLMNXOYOVHAG-UHFFFAOYSA-N- Molecular formula
- C12H18O3
- Average molar mass
- 210.27 g/mol
- Monoisotopic mass
- 210.12559443
Overview
Para-Anisaldehyde diethyl acetal is a benzyl ether.
Names & identifiers
- Preferred name
- 1-(Diethoxymethyl)-4-methoxybenzene
- IUPAC
- 1-(diethoxymethyl)-4-methoxybenzene
- English name
- p-(diethoxymethyl)anisole
- Molecular formula
- C12H18O3
- Molecular weight
- 210.27
Names & synonyms
1-(Diethoxymethyl)-4-methoxybenzene2403-58-9p-(Diethoxymethyl)anisoleBenzene, 1-(diethoxymethyl)-4-methoxy-4-Methoxybenzaldehyde diethyl acetalAnisaldenyde diethyl acetalXNU9E8U6PYEINECS 219-288-6NSC 20033NSC-20033para-Methoxybenzaldehyde diethyl acetalAI3-06443
Show more names
Nsc200334-(Diethoxymethyl)anisole
DTXSID7051896RefChem:427612DTXCID5030458219-288-61-Diethoxymethyl-4-methoxybenzeneMFCD00672800PARA-ANISALDEHYDE DIETHYL ACETAL1-(diethoxymethyl)-4-methoxy-benzene
Database identifiers
- CAS
2403-58-9- PubChem CID
- 75468
- DTXSID
DTXSID7051896- ChEBI
CHEBI:229363- UNII
- XNU9E8U6PY
- EC Number
- 219-288-6
- Nikkaji
- J76.327F
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 147
Experimental & physicochemical properties
FragrancesFragrance Ingredient (4-Methoxybenzaldehyde diethyl acetal) -> IFRA transparency List
Physicochemical properties
- Boiling point
- 103 · 103-104°C/3.5mm
- Density
- 1.06 · 1.06
- refractive index
- 1.492 · 1.4920
- Flash point
- 103 · 103-104°C/3.5mm
- LogP
- 2.789 · 2.789 (est)
- FDA UNII
- 9 E8U6PY · XNU9E8U6PY
- EPA Substance Registry System
- p-(Diethoxymethyl)anisole (2403-58-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- TSCA
- TSCA listed
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
This chemical does not meet GHS hazard criteria for 100% (90 of 90) of all reports.
Not Classified
Aggregated GHS information provided per 90 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzene, 1-(diethoxymethyl)-4-methoxy-
Benzene, 1-(diethoxymethyl)-4-methoxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing InformationBenzene, 1-(diethoxymethyl)-4-methoxy-: ACTIVE
Suppliers
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Related reactions
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Compound notes
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