2,4,6-Triethoxybenzaldehyde
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Basic information
- CAS
59652-88-9- Standard SMILES
CCOc1cc(OCC)c(C=O)c(OCC)c1- InChIKey
FXNZCYUMRHJSFP-UHFFFAOYSA-N- Molecular formula
- C13H18O4
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.12050906
Names & identifiers
- Preferred name
- 2,4,6-Triethoxybenzaldehyde
- IUPAC
- 2,4,6-triethoxybenzaldehyde
- English name
- 2,4,6-TRIETHOXYBENZALDEHYDE
- Molecular formula
- C13H18O4
- Molecular weight
- 238.28
Names & synonyms
2,4,6-triethoxybenzaldehydeDTXSID30302584RefChem:442899DTXCID20253718654-141-359652-88-9Benzaldehyde,2,4,6-triethoxy-PHLOROGLUCINOL ALDEHYDE TRIETHYLETHERMFCD00016586Phloroglucinol Aldehyde Triethyl EtherNSC151974orb1992063
Show more names
Benzaldehyde, 2,4,6-triethoxy-PHLOROGLUCINALDEHYDE TRIETHYL ETHER2,4,6-TRIHYDROXYBENZALDEHYDE TRIETHYL ETHER
SCHEMBL2700871SCHEMBL2700873FXNZCYUMRHJSFP-UHFFFAOYSA-NAKOS027383373FP70476NSC-151974DB-053434Phloroglucinol Aldehyde Triethyl Ether ;?100 MG
Database identifiers
- CAS
59652-88-9- PubChem CID
- 289741
- DTXSID
DTXSID30302584- EC Number
- 654-141-3
- Nikkaji
- J308.902I
Properties
Computed structural propertiesFilling in
- 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
- 203
Physicochemical properties
- Melting point
- 98 °C · 98°C
- LogP
- 3.09 · 3.090 (est)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
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
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H302-H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
9 records
Compound notes
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