4-(Decyloxy)-3-methoxybenzaldehyde
Basic information
- CAS
93206-93-0- Standard SMILES
CCCCCCCCCCOc1ccc(C=O)cc1OC- InChIKey
DFLRQQOMLLBRKN-UHFFFAOYSA-N- Molecular formula
- C18H28O3
- Average molar mass
- 292.4 g/mol
- Monoisotopic mass
- 292.20384475
Names & identifiers
- Preferred name
- 4-(Decyloxy)-3-methoxybenzaldehyde
- IUPAC
- 4-decoxy-3-methoxybenzaldehyde
- English name
- 4-(Decyloxy)-m-anisaldehyde
- Molecular formula
- C18H28O3
- Molecular weight
- 292.41
Names & synonyms
4-(Decyloxy)-3-methoxybenzaldehyde4-(DECYLOXY)-M-ANISALDEHYDE93206-93-0DTXSID001298022RefChem:515765DTXCID601728180653-281-2SCHEMBL104171624-decyloxy-3-methoxybenzaldehydeAKOS008968130Benzaldehyde, 4-(decyloxy)-3-methoxy-
Database identifiers
- CAS
93206-93-0- PubChem CID
- 3572058
- DTXSID
DTXSID001298022- EC Number
- 653-281-2
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- Boiling point
- 407 · 407.0±25.0 °C(Predicted)
- Density
- 0.982 · 0.982±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H413-H319
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317-H413-H319
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P
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Related reactions
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Compound notes
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