Basic information
- CAS
10431-98-8- Standard SMILES
CCC1=NCCO1- InChIKey
NYEZZYQZRQDLEH-UHFFFAOYSA-N- Molecular formula
- C5.H9.N.O.
- Average molar mass
- 99.13 g/mol
- Monoisotopic mass
- 99.06841391
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-Ethyl-2-oxazoline
- IUPAC
- 2-ethyl-4,5-dihydro-1,3-oxazole
- English name
- 2-Ethyl-2-oxazoline
- Molecular formula
- C5H9NO
- Molecular weight
- 99.13
Names & synonyms
2-Ethyl-2-oxazoline10431-98-82-EthyloxazolineOxazole, 2-ethyl-4,5-dihydro-2-Ethyl-4,5-dihydro-oxazoleB8CD92T4P5NSC-136557DTXSID9065075RefChem:6739DTXCID9032876233-912-42-ethyl-4,5-dihydrooxazole
Show more names
ETHOX2-Ethyl-2-oxazolin2-ethyl-2-0xazoline2-Ethyl-2-oxazoline>2-ETHYL-DELTA2-OXAZOLINE2-ETHYL-2-OXAZOLINE, 99+%
2-Ethyl-4,5-dihydro-1,3-oxazole2-Oxazoline, 2-ethyl-MFCD00005302UNII-HNX7574GTXUNII-JM7UH9Q3YNUNII-S5DPG6K67IUNII-B8CD92T4P5ethyl oxazoline
Database identifiers
- CAS
10431-98-8- PubChem CID
- 66412
- DTXSID
DTXSID9065075- UNII
- B8CD92T4P5
- EC Number
- 233-912-4
- Nikkaji
- J24.393K
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 21.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 88.1
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Density0.982 @25 °C
Boiling Point128.4 °C @760 [mm Hg]
Vapor Pressure8.0 [mmHg]
Physical DescriptionColorless to pale yellow liquid with an odor like amines; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- -62 °C · -62 °C (lit.)
- Boiling point
- 128.4 °C · 128.4 °C (lit.)
- Density
- 0.982 g/mL · 0.982 g/mL at 25 °C (lit.)
- vapor pressure
- 13.1 hPa · 13.1hPa at 37.8℃
- refractive index
- 20 · n20/D 1.437(lit.)
- Flash point
- 85 °F · 85 °F
- storage temp.
- Flammables area
- form
- Liquid
- pka
- 5.65 · 5.65±0.50(Predicted)
- color
- Clear
- PH
- 10 · 10-12 (100g/l, H2O, 20℃)
- Viscosity
- 0.7 mm2/s · 0.7mm2/s
- Water Solubility
- MISCIBLE
- Sensitive
- Air Sensitive
- BRN
- 105464 · 105464
- InChI
- 1S/C5H9NO/c1-2-5-6-3-4-7-5/h2-4H2,1H3
- InChIKey
- NYEZZYQZRQDLEH-UHFFFAOYSA-N
- SMILES
- CCC1=NCCO1
- LogP
- 0.198 at · 0.198 at 24℃
- CAS DataBase Reference
- 10431 · 10431-98-8(CAS DataBase Reference)
- FDA UNII
- 8 CD92T4P5 · B8CD92T4P5
- NIST Chemistry Reference
- 2 · Oxazole, 2-ethyl-4,5-dihydro-(10431-98-8)
- EPA Substance Registry System
- 2 · Oxazole, 2-ethyl-4,5-dihydro- (10431-98-8)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H302+H312+H332
- Precautionary statements
- 210 · P210-P280-P301+P312+P330-P302+P352+P312-P304+P340+P312
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn
- Risk Statements
- 10 · 10-20/21/22
- Safety Statements
- 16 · 16-26-28-36/37/39
- RIDADR
- 1993 · UN 1993 3/PG 3
- WGK Germany
- 1 · 1
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 29349990 · 29349990
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralFlam. Liq. 3
- REACH Registrations
- Active
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 0.6% (1 of 156) of reports.
Danger
H226 (99.4%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 156 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Status: Active Update: 20-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/26145
2-Ethyl-2-oxazoline: HSNO Approval: HSR004216 Approved with controls
Hazards SummaryCorrosive to rabbit skin; A skin sensitizer in guinea pigs; [EPA - TSCATS] Causes burns; May cause skin sensitization; [Alfa Aesar MSDS]
Hazard Classes and CategoriesFlam. Liq. 3 (99.4%)
Safety & protection
Protective Action Criteria (PAC)
8.8 [mg/m3]
97 [mg/m3]
580 [mg/m3]
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29349990
- risk_code
- 10-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xn
- safety_code
- 16-26-28-36/37/39
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226-H302+H312+H332
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralFlam. Liq. 3
- Precautionary statements
- P210-P280-P301+P312+P330-P302+P352+P312-P304+P340+P312
Chemistry & industry
Uses & manufacturing
UsesUsed as an intermediate; [EPA - TSCATS]
General Manufacturing InformationOxazole, 2-ethyl-4,5-dihydro-: ACTIVE
Applications
Uses2-ethyl-2-oxazoline is an organic intermediate and monomer that is used in water-soluble polymers, pharmaceuticals, cosmetics, specialty coatings and adhesives.
Uses2-Ethyl-2-oxazoline (EtOx) was used in synthesis of block copolymers of EtOx and styrene by cationic ring-opening polymerization and atom transfer radical polymerization.
General Description2-Ethyl-2-oxazoline undergoes cationic ring opening graft polymerization using tosylated cellulose nanowhisker as macroinitiator.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers86 total
Hangzhou Milon Pharmatech Co.,Ltd.+86-18083715844 · [email protected]
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Related reactions
19 records
Compound notes
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