Basic information
- CAS
46921-17-9- Standard SMILES
CCCCCCCCCCCC1=NC(C)(C)CO1- InChIKey
FREPJBZLNPPGDM-UHFFFAOYSA-N- Molecular formula
- C16H31NO
- Average molar mass
- 253.42 g/mol
- Monoisotopic mass
- 253.24056461
Names & identifiers
- Preferred name
- 4,4-Dimethyl-2-undecyl-2-oxazoline
- IUPAC
- 4,4-dimethyl-2-undecyl-5H-1,3-oxazole
- English name
- 4,4-Dimethyl-2-undecyl-2-oxazoline
- Molecular formula
- C16H31NO
- Molecular weight
- 253.42
Names & synonyms
4,4-Dimethyl-2-undecyl-2-oxazoline2-Oxazoline, 4,4-dimethyl-2-undecyl-46921-17-97VGE42DCB2NSC-17727DTXSID301969854,5-DIHYDRO-4,4-DIMETHYL-2-UNDECYLOXAZOLERefChem:96363DTXCID70119476686-853-5Oxazole, 4,5-dihydro-4,4-dimethyl-2-undecyl-NSC 17727
Show more names
BRN 4998817NSC17727UNII-7VGE42DCB24,4-dimethyl-2-undecyl-4,5-dihydro-1,3-oxazoleSCHEMBL474113Dodecanoic acid, DMOX derivative2-Oxazoline,4-dimethyl-2-undecyl-WLN: T5N CO AUTJ B11 E1 E1
Database identifiers
- CAS
46921-17-9- PubChem CID
- 95103
- DTXSID
DTXSID30196985- UNII
- 7VGE42DCB2
- EC Number
- 686-853-5
- Nikkaji
- J78.688H
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 21.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Boiling point
- 299 ℃ · 299℃ at 102.9kPa
- Density
- 898 at · 898 at 20℃
- vapor pressure
- 1.4 · 1.4-1.65Pa at 20-25℃
- form
- Liquid
- pka
- 5.78 · 5.78±0.70(Predicted)
- FDA UNII
- 7 VGE42DCB2 · 7VGE42DCB2
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 315 · H315-H400-H317
- Precautionary statements
- 273 · P273-P391-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
- REACH Registrations
- Active
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, P272, P273, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, P391, 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
Regulatory InformationREACH registered substance: 4,4-Dimethyl-2-undecyl-2-oxazoline (EC: 686-853-5)
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H315-H400-H317
- REACH Registrations
- Active
- Precautionary statements
- P273-P391-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers1 total
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
4 records
Compound notes
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