Basic information
- CAS
21962-24-3- Standard SMILES
CC=CC(OC)OC- InChIKey
NOYRGONWBIVLEL-UHFFFAOYSA-N- Molecular formula
- C6H12O2
- Average molar mass
- 116.16 g/mol
- Monoisotopic mass
- 116.08372962
Names & identifiers
- Preferred name
- 4,4-Dimeth-oxy-2-butene
- IUPAC
- 1,1-dimethoxybut-2-ene
- English name
- 1,1-dimethoxybut-2-ene
- Molecular formula
- C6H12O2
- Molecular weight
- 116.16
Names & synonyms
4,4-dimeth-oxy-2-buteneSCHEMBL2992683SCHEMBL5166907SCHEMBL9243639SCHEMBL23852595NS000495681,1-Dimethoxy-2-butene1,1-dimethoxybut-2-ene2-BUTENE,1,1-DIMETHOXY-2-Butenal dimethyl acetal
Database identifiers
- CAS
21962-24-3- PubChem CID
- 30873
- DTXSID
DTXSID90885186
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 64.9
Physicochemical properties
- Boiling point
- 157.22 °C · 157.22°C (rough estimate)
- Density
- 0.9548 · 0.9548 (rough estimate)
- refractive index
- 1.403 · 1.4030 (estimate)
- LogP
- 1.177 · 1.177 (est)
- EPA Substance Registry System
- Crotonaldehyde dimethyl acetal (21962-24-3)
- 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
Chemistry & industry
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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