Basic information
- CAS
26254-86-4- Standard SMILES
COCC(C)(C)C=O- InChIKey
MSUXOWPAVUXNMZ-UHFFFAOYSA-N- Molecular formula
- C6H12O2
- Average molar mass
- 116.16 g/mol
- Monoisotopic mass
- 116.08372962
Names & identifiers
- Preferred name
- 3-Methoxy-2,2-dimethylpropionaldehyde
- IUPAC
- 3-methoxy-2,2-dimethylpropanal
- English name
- 3-methoxy-2,2-dimethylpropionaldehyde
- Molecular formula
- C6H12O2
- Molecular weight
- 116.16
Names & synonyms
3-methoxy-2,2-dimethylpropanal26254-86-43-Methoxy-2,2-dimethylpropionaldehydeEINECS 247-549-4DTXSID40180890RefChem:503051DTXCID80103381247-549-43-methoxy-2,2-dimethyl-propionaldehydePropanal, 3-methoxy-2,2-dimethyl-methoxypivalaldehydeMFCD21608362
Show more names
3-Methoxy-2,2-dimethyl-propioldehyde
SCHEMBL207063SCHEMBL2070643-methoxy-2,2-dimethyl-propanalBBA25486AKOS022632869SB36271NS00028068D84794
Database identifiers
- CAS
26254-86-4- PubChem CID
- 3015262
- DTXSID
DTXSID40180890- EC Number
- 247-549-4
- Nikkaji
- J308.412D
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 76.6
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226-H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-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
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, 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
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS02
- Hazard statements
- H226-H319-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses3-Methoxy-2,2-dimethylpropanal is a useful reagent used in the preparation of chiral cyanohydrin acetates by enzymic reaction with a cyanide containing compound.
Suppliers7 total
苏州奥佰医药科技有限公司1483287082 19962651230 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
北京六合宁远医药科技股份有限公司010-60400365-8001 15910885229 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
4 records
Compound notes
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