Basic information
- CAS
39986-37-3- Standard SMILES
CC1=NC(C)(CO)CO1- InChIKey
YWLSGHOSSUXBJK-UHFFFAOYSA-N- Molecular formula
- C6H11NO2
- Average molar mass
- 129.16 g/mol
- Monoisotopic mass
- 129.07897859
Names & identifiers
- Preferred name
- 4-Oxazolemethanol, 4,5-dihydro-2,4-dimethyl-
- IUPAC
- (2,4-dimethyl-5H-1,3-oxazol-4-yl)methanol
- English name
- 2,4-Dimethyl-4-hydroxymethyl-2-oxazoline
- Molecular formula
- C6H11NO2
- Molecular weight
- 129.16
Names & synonyms
4-Oxazolemethanol, 4,5-dihydro-2,4-dimethyl-EINECS 254-734-3NSC 74297DTXSID80885791RefChem:526103DTXCID30102515339986-37-32,4-Dimethyl-4-hydroxymethyl-2-oxazoline2,4-Dimethyl-2-oxazoline-4-methanol(2,4-Dimethyl-4,5-dihydrooxazol-4-yl)methanol(2,4-Dimethyl-4,5-dihydro-1,3-oxazol-4-yl)methanol(2,4-dimethyl-5H-1,3-oxazol-4-yl)methanol
Show more names
TIMTEC-BB SBB0077724-HYDROXYMETHYL-2,4-DIMETHYL-2-OXAZOLINE4,5-dihydro-2,4-dimethyl-4-oxazolemethano4,5-DIHYDRO-2,4-DIMETHYL-4-OXAZOLEMETHANOL
NSC74297MFCD00022425(2,4-dimethyl-5H-oxazol-4-yl)methanol(2,4-dimethyl-1,3-oxazolin-4-yl)methan-1-olSCHEMBL594114NSC-74297SBB0077722,4-dimethyl-4-methylol-2-oxazoline
Database identifiers
- CAS
39986-37-3- PubChem CID
- 98073
- DTXSID
DTXSID80885791- EC Number
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- Melting point
- 30 · 30-31℃
- Boiling point
- 207 · 207-209℃
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- refractive index
- 1.4609 · 1.4609 (589.3 nm 20℃)
- pka
- 14.22 · 14.22±0.10(Predicted)
- EPA Substance Registry System
- 4 · 4-Oxazolemethanol, 4,5-dihydro-2,4-dimethyl- (39986-37-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 233 · P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information4-Oxazolemethanol, 4,5-dihydro-2,4-dimethyl-: INACTIVE
Suppliers5 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海合寰化工科技有限公司18621911604 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
Related reactions
1 records
Compound notes
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