2-Isopropyl-2-oxazoline
Basic information
- CAS
10431-99-9- Standard SMILES
CC(C)C1=NCCO1- InChIKey
FVEZUCIZWRDMSJ-UHFFFAOYSA-N- Molecular formula
- C6H11NO
- Average molar mass
- 113.16 g/mol
- Monoisotopic mass
- 113.08406397
Names & identifiers
- Preferred name
- 2-Isopropyl-2-oxazoline
- IUPAC
- 2-propan-2-yl-4,5-dihydro-1,3-oxazole
- English name
- 2-Isopropyl-2-oxazoline
- Molecular formula
- C6H11NO
- Molecular weight
- 113.16
Names & synonyms
2-Isopropyl-2-oxazoline10431-99-9DTXSID90340684RefChem:1063544DTXCID10291765678-566-92-Isopropyl-4,5-dihydrooxazole2-propan-2-yl-4,5-dihydro-1,3-oxazoleMFCD082763822-(propan-2-yl)-4,5-dihydro-1,3-oxazole2-Isopropyl-1,3-oxazol-2-ineSCHEMBL152241
Show more names
2-Isopropyl-2-oxazoline>2-Isopropyl-4,5-dihydrooxazoleOxazole, 4,5-dihydro-2-(1-methylethyl)-
SCHEMBL4458237SCHEMBL96691592-Isopropyl-4,5-dihydro-oxazoleFVEZUCIZWRDMSJ-UHFFFAOYSA-NAKOS015841677BP-30122BS-44032SY055131
Database identifiers
- CAS
10431-99-9- PubChem CID
- 566545
- DTXSID
DTXSID90340684- EC Number
- 678-566-9
- Nikkaji
- J801.603H
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 21.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 107
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physicochemical properties
- Boiling point
- 138 °C · 138 °C
- Density
- 0.95 · 0.95
- refractive index
- 1.433 to · 1.4330 to 1.4380
- storage temp.
- 2 · 2-8°C
- form
- clear liquid
- pka
- 5.65 · 5.65±0.50(Predicted)
- color
- Colorless to Light yellow
- InChI
- 1S/C6H11NO/c1-5(2)6-7-3-4-8-6/h5H,3-4H2,1-2H3
- InChIKey
- FVEZUCIZWRDMSJ-UHFFFAOYSA-N
- SMILES
- CC(C1=NCCO1)C
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 2 · GHS02
- Signal word
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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 CategoriesFlam. Liq. 3 (100%)
Safety data
- wgk
- WGK 3
- ridadr
- UN 1993 3/PG III
- hs_code
- 2934.99.9001
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226
- Hazard Classifications
- Flam. Liq. 3
- Precautionary statements
- P210-P370+P378
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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