1,1-Dimethoxybutane - CAS 4461-87-4
Catalog: |
BB067024 |
Product Name: |
1,1-Dimethoxybutane |
CAS: |
4461-87-4 |
Synonyms: |
Butanal Dimethyl Acetal; Butyraldehyde Methyl Acetal |
IUPAC Name: | 1,1-dimethoxybutane |
Description: | 1,1-Dimethoxybutane is used in preparation of imine type quaternary ammonium salt catalyst for low-viscosity polyisocyanate synthesis. |
Molecular Weight: | 118.17 |
Molecular Formula: | C6H14O2 |
Canonical SMILES: | CCCC(OC)OC |
InChI: | InChI=1S/C6H14O2/c1-4-5-6(7-2)8-3/h6H,4-5H2,1-3H3 |
InChI Key: | DZKUKLGGGNLHNY-UHFFFAOYSA-N |
References: | Li, Y., et al. Faming Zhuanli Shenqing, (2019). |
GHS Hazard Statement: | H224 (100%): Extremely flammable liquid and vapor [Danger Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 |
Signal Word: | Danger |
Complexity: | 41.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 118.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 118.099379685 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 18.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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