Benzaldehyde, 2,4,5-triethoxy-
Basic information
- CAS
67827-54-7- Standard SMILES
CCOc1cc(OCC)c(OCC)cc1C=O- InChIKey
OQEPUQXAJPNVFJ-UHFFFAOYSA-N- Molecular formula
- C13H18O4
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.12050905
Names & identifiers
- Preferred name
- Benzaldehyde, 2,4,5-triethoxy-
- IUPAC
- 2,4,5-triethoxybenzaldehyde
- English name
- 2,4,5-Triethoxy benzaldehyde
- Molecular formula
- C13H18O4
- Molecular weight
- 238.28
Names & synonyms
2,4,5-TriethoxybenzaldehydeBenzaldehyde, 2,4,5-triethoxy-DTXSID6070643RefChem:117099DTXCID3045067654-792-367827-54-72,4,5-TRIETHOXY BENZALDEHYDEBenzaldehyde,2,4,5-triethoxy-SCHEMBL3431542SCHEMBL16060784OQEPUQXAJPNVFJ-UHFFFAOYSA-N
Show more names
AKOS024332827DB-127403
Database identifiers
- CAS
67827-54-7- PubChem CID
- 105686
- DTXSID
DTXSID6070643- EC Number
- 654-792-3
- Nikkaji
- J429.638I
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Boiling point
- 373.2 · 373.2±37.0 °C(Predicted)
- Density
- 1.07 · 1.070±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 2 · Benzaldehyde, 2,4,5-triethoxy- (67827-54-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
- 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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzaldehyde, 2,4,5-triethoxy-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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