Basic information
- CAS
70289-27-9- Standard SMILES
CCCCCCCCOc1ccccn1- InChIKey
YRRNIRAKWMOLTK-UHFFFAOYSA-N- Molecular formula
- C13H21NO
- Average molar mass
- 207.31 g/mol
- Monoisotopic mass
- 207.16231429
Names & identifiers
- Preferred name
- Octyl 2-pyridyl ether
- IUPAC
- 2-octoxypyridine
- English name
- octyl 2-pyridyl ether
- Molecular formula
- C13H21NO
- Molecular weight
- 207.31
Names & synonyms
2-(octyloxy)pyridineOctyl 2-pyridyl ether70289-27-9EINECS 274-542-3DTXSID70220536NSC 163384RefChem:856069DTXCID00143027274-542-32-octoxypyridinePyridine, 2-(octyloxy)-NSC-163384
Show more names
NSC163384BX4M2LK33BSCHEMBL7453009YRRNIRAKWMOLTK-UHFFFAOYSA-NAKOS024332296NS00037038
Database identifiers
- CAS
70289-27-9- PubChem CID
- 98754
- DTXSID
DTXSID70220536- UNII
- BX4M2LK33B
- EC Number
- 274-542-3
- Nikkaji
- J288.915C
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 22.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 144 · 144-145 °C(Press: 16 Torr)
- Density
- 0.932 · 0.932±0.06 g/cm3(Predicted)
- pka
- 4.16 · 4.16±0.12(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315-H413
- 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, P273, 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 38 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 Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315-H413
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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