Basic information
- CAS
1799619-92-3- Standard SMILES
CC(C)(C)c1ncc(CO)o1- InChIKey
JLXJZBPIXFPGJN-UHFFFAOYSA-N- Molecular formula
- C8H13NO2
- Average molar mass
- 155.19 g/mol
- Monoisotopic mass
- 155.09462866
Names & identifiers
- Preferred name
- (2-Tert-butyl-1,3-oxazol-5-yl)methanol
- IUPAC
- (2-tert-butyl-1,3-oxazol-5-yl)methanol
- English name
- (2-tert-butyl-1,3-oxazol-5-yl)methanol
- Molecular formula
- C8H13NO2
- Molecular weight
- 155.19
Names & synonyms
(2-tert-butyl-1,3-oxazol-5-yl)methanol1799619-92-3RefChem:396252975-664-6(2-(TERT-BUTYL)OXAZOL-5-YL)METHANOLSCHEMBL365397SCHEMBL18167004ZWC61992AKOS026744842AT18517DB-160582EN300-182534
Show more names
2-(1,1-Dimethylethyl)-5-oxazolemethanol5-Oxazolemethanol, 2-(1,1-dimethylethyl)-
F8888-6651
Database identifiers
- CAS
1799619-92-3- PubChem CID
- 86767331
- EC Number
- 975-664-6
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- Boiling point
- 236.4 · 236.4±15.0 °C(Predicted)
- Density
- 1.063 · 1.063±0.06 g/cm3(Predicted)
- pka
- 13.45 · 13.45±0.10(Predicted)
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Suppliers5 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海旺珐化工科技有限公司（安徽珐诺伊医药科技有限公司）13918479294 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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