2,2'-Methylenebis[(4S)-4-tert-butyl-2-oxazoline]
Basic information
- CAS
131833-91-5- Standard SMILES
CC(C)(C)[C@@H]1COC(CC2=N[C@H](C(C)(C)C)CO2)=N1- InChIKey
WCCCBUXURHZPQL-QWRGUYRKSA-N- Molecular formula
- C15H26N2O2
- Average molar mass
- 266.38 g/mol
- Monoisotopic mass
- 266.19942808
Names & identifiers
- Preferred name
- 2,2'-Methylenebis[(4S)-4-tert-butyl-2-oxazoline]
- IUPAC
- (4R)-4-tert-butyl-2-[[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole
- English name
- 2,2'-methylenebis[(4S)-4-tert-butyl-2-oxazoline]
- Molecular formula
- C15H26N2O2
- Molecular weight
- 266.38
Names & synonyms
131833-91-52,2'-Methylenebis[(4S)-4-tert-butyl-2-oxazoline]2,2'-Methylenebis((4S)-4-tert-butyl-2-oxazoline)RefChem:440311631-345-0Bis((R)-4-(tert-butyl)-4,5-dihydrooxazol-2-yl)methaneMFCD30543745(4R)-4-tert-butyl-2-[[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazoleBis[(R)-4-(tert-butyl)-4,5-dihydrooxazol-2-yl]methaneSCHEMBL248729BS-51514SY412324
Show more names
CS-0109313F617324Oxazole, 2,2'-methylenebis[4-(1,1-dimethylethyl)-4,5-dihydro-, (4R,4'R)-(4R)-4-tert-butyl-2-[[(4R)-4-tert-butyl-4,5-dihydrooxazol-2-yl]methyl]-4,5-dihydrooxazole
Database identifiers
- CAS
131833-91-5- PubChem CID
- 688207
- EC Number
- 631-345-0
- Nikkaji
- J1.142.335C
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 43.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 361
Physicochemical properties
- Boiling point
- 328.8 · 328.8±25.0 °C(Predicted)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 5.39 · 5.39±0.70(Predicted)
- Appearance
- Off-white to light yellow Solid
- 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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