(3,3-Dimethyloxiran-2-yl)methanol
Basic information
- CAS
18511-56-3- Standard SMILES
CC1(C)OC1CO- InChIKey
HJXAWVLTVYGIBH-UHFFFAOYSA-N- Molecular formula
- C5H10O2
- Average molar mass
- 102.13 g/mol
- Monoisotopic mass
- 102.06807956
Names & identifiers
- Preferred name
- (3,3-Dimethyloxiran-2-yl)methanol
- IUPAC
- (3,3-dimethyloxiran-2-yl)methanol
- English name
- (3,3-Dimethyloxiranyl)methanol
- Molecular formula
- C5H10O2
- Molecular weight
- 102.13
Names & synonyms
(3,3-dimethyloxiran-2-yl)methanol18511-56-3DTXSID00939927RefChem:399259DTXCID60936316860-811-8(3,3-Dimethyloxiranyl)methanolMFCD21339345Dimethylglycidol(3,3-Dimethyloxiran-2-yl)methanol (>85%)Oxiranemethanol, 3,3-dimethyl-SCHEMBL5236781
Show more names
SCHEMBL7143908SCHEMBL99811702-Oxiranemethanol, 3,3-dimethyl-(3,3-dimethyl-oxiran-2-yl)-methanolAKOS015905823EN300-307573G28770(3,3-Dimethyloxiran-2-yl)methanol in isooctane
Database identifiers
- CAS
18511-56-3- PubChem CID
- 167724
- DTXSID
DTXSID00939927- EC Number
- 860-811-8
- Nikkaji
- J910.398H
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 78.1
Physicochemical properties
- Boiling point
- 147.7 · 147.7±8.0 °C(Predicted)
- Density
- 1.008 · 1.008±0.06 g/cm3(Predicted)
- pka
- 14.44 · 14.44±0.10(Predicted)
- InChI
- InChI=1S/C5H10O2/c1-5(2)4(3-6)7-5/h4,6H,3H2,1-2H3
- InChIKey
- HJXAWVLTVYGIBH-UHFFFAOYSA-N
- SMILES
- O1C(C)(C)C1CO
- Symbol(GHS)
- 8 · GHS08,GHS06
- Signal word
- Danger
- Hazard statements
- 335 · H335-H302-H315-H373-H312-H341-H351-H227-H319-H331
- Precautionary statements
- 210 · P210-P280-P370+P378-P403+P235-P501-P264-P270-P301+P312-P330-P501-P201-P202-P281-P308+P313-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P260-P314-P501-P201-P202-P281-P308+P313-P405-P501-P264-P280-P305+P351+P338-P337+P313P
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
Danger
H227 (100%): Combustible liquid [Warning Flammable liquids]
P203, P210, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS06
- Hazard statements
- H335-H302-H315-H373-H312-H341-H351-H227-H319-H331
- Precautionary statements
- P210-P280-P370+P378-P403+P235-P501-P264-P270-P301+P312-P330-P501-P201-P202-P281-P308+P313-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P260-P314-P501-P201-P202-P281-P308+P313-P405-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses(3,3-dimethyloxiran-2-yl)methanol can be useful in catalyst design for alkene epoxidation by molecular analogues of heterogeneous titanium-silicalite catalysts.
Suppliers
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Related reactions
2 records
Compound notes
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