Basic information
- CAS
4694-80-8- Standard SMILES
CCCC1=NCCO1- InChIKey
GXCJLVVUIVSLOQ-UHFFFAOYSA-N- Molecular formula
- C6H11NO
- Average molar mass
- 113.16 g/mol
- Monoisotopic mass
- 113.08406397
Names & identifiers
- Preferred name
- 4,5-Dihydro-2-propyloxazole
- IUPAC
- 2-propyl-4,5-dihydro-1,3-oxazole
- English name
- 4,5-dihydro-2-propyloxazole
- Molecular formula
- C6H11NO
- Molecular weight
- 113.16
Names & synonyms
2-Propyl-2-oxazoline4694-80-84,5-Dihydro-2-propyloxazole2-propyl-4,5-dihydro-1,3-oxazoleEINECS 225-156-97QLF7QC2Z7NSC-1223782-OXAZOLINE, 2-PROPYL-DTXSID00196992Oxazole, 4,5-dihydro-2-propyl-NSC 122378RefChem:96478
Show more names
2-Propyl-2-oxazoline>4,5-dihydro-2-propyloxazole
DTXCID40119483225-156-92-Propyl-4,5-dihydrooxazoleMFCD026847762-n-propyl-2-oxazolineOxazole,4,5-dihydro-2-propyl-NSC122378UNII-7QLF7QC2Z7
Database identifiers
- CAS
4694-80-8- PubChem CID
- 78418
- DTXSID
DTXSID00196992- UNII
- 7QLF7QC2Z7
- EC Number
- 225-156-9
- Nikkaji
- J297.895D
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 21.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 98.7
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physicochemical properties
- Boiling point
- 147 °C · 147 °C
- Density
- 0.97 · 0.97
- refractive index
- 1.437 · 1.4370-1.4410
- Flash point
- 23 ℃ · 23℃
- storage temp.
- 2 · 2-8°C
- form
- clear liquid
- pka
- 5.77 · 5.77±0.50(Predicted)
- color
- Colorless to Light yellow
- BRN
- 1071572 · 1071572
- FDA UNII
- 7 QLF7QC2Z7 · 7QLF7QC2Z7
- UNSPSC Code
- 12162002 · 12162002
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
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
- ridadr
- UN 1993C 3 / PGIII
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H226
- Precautionary statements
- P210-P370+P378
Chemistry & industry
Suppliers33 total
河北凡博医药科技有限公司15588346797 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
河北凡博医药科技有限公司15832170903 · [email protected]
武汉罗化科技有限公司13477084141; 13477084141 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
杭州宇昊化工科技有限公司0571-82693216 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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