Basic information
- CAS
30093-99-3- Standard SMILES
CC1(C)COC=N1- InChIKey
KOAMXHRRVFDWRQ-UHFFFAOYSA-N- Molecular formula
- C5H9NO
- Average molar mass
- 99.13 g/mol
- Monoisotopic mass
- 99.06841391
Overview
structure in first source
Names & identifiers
- Preferred name
- 4,4-Dimethyl-2-oxazoline
- IUPAC
- 4,4-dimethyl-5H-1,3-oxazole
- English name
- 4,4-DIMETHYL-2-OXAZOLINE
- Molecular formula
- C5H9NO
- Molecular weight
- 99.13
Names & synonyms
4,4-Dimethyl-2-oxazoline30093-99-34,4-DimethyloxazolineOxazole, 4,5-dihydro-4,4-dimethyl-4,5-Dihydro-4,4-dimethyloxazoleT6Z768E669DTXSID60184178DMOXRefChem:507445DTXCID70106669250-045-74,4-dimethyl-5H-1,3-oxazole
Show more names
SKL0964,4-Dimethyl-2-oxazoline>4,4-Dimethyl-2-oxazoline, 98+%
4,4-dimethyl-4,5-dihydrooxazole4,4-Dimethyl-4,5-dihydro-1,3-oxazoleMFCD00014507EINECS 250-045-74,4-dimethyl-5H-oxazoleSCHEMBL610454SCHEMBL703337UNII-T6Z768E669
Database identifiers
- CAS
30093-99-3- PubChem CID
- 121630
- DTXSID
DTXSID60184178- UNII
- T6Z768E669
- EC Number
- 250-045-7
- Nikkaji
- J236.347J
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 21.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 96.3
Physicochemical properties
- Boiling point
- 99 · 99-100 °C
- Density
- 0.94 · 0.94
- refractive index
- 1.419 · 1.419-1.424
- RTECS
- 6798385 · RP6798385
- Flash point
- 1 °C · 1 °C
- storage temp.
- 30 °C · Store below +30°C.
- form
- Liquid
- pka
- 4.88 · 4.88±0.40(Predicted)
- color
- Clear colorless
- Water Solubility
- Hydrolyzes with water.
- Sensitive
- Moisture Sensitive
- BRN
- 1209606 · 1209606
- InChI
- 1S/C5H9NO/c1-5(2)3-7-4-6-5/h4H,3H2,1-2H3
- InChIKey
- KOAMXHRRVFDWRQ-UHFFFAOYSA-N
- SMILES
- N1=COCC1(C)C
- CAS DataBase Reference
- 30093 · 30093-99-3
- EWG's Food Scores
- 1 · 1
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information4,4-Dimethyl-2-oxazoline: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- wgk
- WGK 3
- ridadr
- 1993
- hs_code
- 29349990
- risk_code
- 11
- Signal word
- Danger
- Symbol(GHS)
- GHS02
- hazard_code
- F
- safety_code
- 9-33
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H225
- Limited Quantities
- 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Flam. Liq. 2
Chemistry & industry
Applications
Uses4,4-Dimethyl-2-oxazoline is used in the fictionalization of a non-activated carbon-hydrogen bond.
Upstream & downstream products
Downstream products
Suppliers50 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [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]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
Related reactions
2 records
Compound notes
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