4-(Heptyloxy)-m-anisaldehyde
Basic information
- CAS
5438-59-5- Standard SMILES
CCCCCCCOc1ccc(C=O)cc1OC- InChIKey
ICALILSAQCFUHV-UHFFFAOYSA-N- Molecular formula
- C15H22O3
- Average molar mass
- 250.33 g/mol
- Monoisotopic mass
- 250.15689456
Names & identifiers
- Preferred name
- 4-(Heptyloxy)-m-anisaldehyde
- IUPAC
- 4-heptoxy-3-methoxybenzaldehyde
- English name
- 4-(Heptyloxy)-m-anisaldehyde
- Molecular formula
- C15H22O3
- Molecular weight
- 250.33
Names & synonyms
4-(HEPTYLOXY)-M-ANISALDEHYDERefChem:516133637-285-14-(heptyloxy)-3-methoxybenzaldehyde5438-59-5NSC16716SCHEMBL83102504-heptoxy-3-methoxy-benzaldehydeDTXSID20969488NSC-16716AKOS003588045DS-005377
Show more names
Benzaldehyde, 4-(heptyloxy)-3-methoxy-
EN300-302389Z56941085
Database identifiers
- CAS
5438-59-5- PubChem CID
- 226337
- DTXSID
DTXSID20969488- EC Number
- 637-285-1
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Boiling point
- 364.5 · 364.5±22.0 °C(Predicted)
- Density
- 1.008 · 1.008±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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