Basic information
- CAS
114203-82-6- Standard SMILES
CC(C)(C)CC(C)(C)c1ccc(OCCOc2ccccc2N)cc1- InChIKey
SNURMEDSOLSWTL-UHFFFAOYSA-N- Molecular formula
- C22H31NO2
- Average molar mass
- 341.5 g/mol
- Monoisotopic mass
- 341.23547923
Names & identifiers
- Preferred name
- 2-(2-(4-Tert-octylphenoxy)ethoxy)aniline
- IUPAC
- 2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]aniline
- English name
- 2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}aniline
- Molecular formula
- C22H31NO2
- Molecular weight
- 341.49
Names & synonyms
2-(2-(4-TERT-OCTYLPHENOXY)ETHOXY)ANILINERefChem:452987114203-82-6667-073-4NSC151077AKOS024335038NSC-1510772-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}aniline
Database identifiers
- CAS
114203-82-6- PubChem CID
- 289345
- EC Number
- 667-073-4
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 380
Physicochemical properties
- Melting point
- 104 °C · 104 °C
- Boiling point
- 476.215 · 476.215±35.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.024 · 1.024±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.277 · 4.277±0.10(predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 319 · H319-H317-H410
- Precautionary statements
- 273 · P273-P391-P501-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, P391, 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 Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H319-H317-H410
- Precautionary statements
- P273-P391-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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