(Diethoxymethyl)benzene
Basic information
- CAS
774-48-1- Standard SMILES
CCOC(OCC)c1ccccc1- InChIKey
MAQMEXSLUSZDQM-UHFFFAOYSA-N- Molecular formula
- C11H16O2
- Average molar mass
- 180.24 g/mol
- Monoisotopic mass
- 180.11502975
Names & identifiers
- Preferred name
- (Diethoxymethyl)benzene
- IUPAC
- diethoxymethylbenzene
- English name
- Benzaldehyde diethyl acetal
- Molecular formula
- C11H16O2
- Molecular weight
- 180.24
Names & synonyms
(Diethoxymethyl)benzene774-48-1Benzene, (diethoxymethyl)-Benzaldehyde diethylacetalBenzaldehyde, diethyl acetalDIETHOXYPHENYLMETHANEToluene, alpha,alpha-diethoxy-NSC 287NSC-287EINECS 212-265-1ETHYL PHENYL ACETAL236M0R125W
Show more names
BENZALDEHYDE DEAα,α-Diethoxytoluene1,1-DiethoxyphenylmethaneBenzaldehyde diethy acetalBenzaldehyde Diethyl Acetal >
DTXSID4061127DIETHYL BENZALDEHYDE ACETALRefChem:406139DTXCID3047974Benzaldehyde Diethyl Acetaldiethoxymethylbenzenealpha,alpha-DiethoxytolueneMFCD00038525
Database identifiers
- CAS
774-48-1- PubChem CID
- 69884
- DTXSID
DTXSID4061127- UNII
- 236M0R125W
- EC Number
- 212-265-1
- Nikkaji
- J79.949A
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 113
Experimental & physicochemical properties
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Melting point
- 260 · 260-262 °C
- Boiling point
- 222 °C · 222 °C
- Density
- 1 · 1,57 g/cm3
- refractive index
- 1.477 · 1.4770-1.4800
- FLAVIS Number
- 6.017 · 06.017 | (Diethoxymethyl)benzene
- Flash point
- 83.9 ° · 83.9°
- storage temp.
- 2 · 2-8°C
- form
- clear liquid
- color
- Colorless to Almost colorless
- Odor
- 100 % · at 100.00 %. green bitter almond
- Odor Type
- green
- LogP
- 2.652 · 2.652 (est)
- CAS DataBase Reference
- 774 · 774-48-1(CAS DataBase Reference)
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)
Aggregated GHS information provided per 1430 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzene, (diethoxymethyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzene, (diethoxymethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2909309090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H227
- Precautionary statements
- P210-P280-P370+P378-P403+P235-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, (diethoxymethyl)-: ACTIVE
Applications
UsesBenzaldehyde Diethyl Acetal has been suggested for use in perfumes because it is more stable to alkali than the aldehyde. However, it does not lend the power or the character of the free aldehyde.
Preparation methods
PreparationBenzaldehyde Diethyl Acetal is produced from Benzaldehyde and Ethylalcohol.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
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Related reactions
6 records
Compound notes
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