Tripropyl orthoformate - CAS 621-76-1
Catalog: |
BB031450 |
Product Name: |
Tripropyl orthoformate |
CAS: |
621-76-1 |
Synonyms: |
1-(dipropoxymethoxy)propane |
IUPAC Name: | 1-(dipropoxymethoxy)propane |
Description: | Tripropoxymethane can be used in the lipase-catalyzed esterification aimed at the kinetic resolution of racemic acids, circumventing the adverse effects of the water formed in the course of the reaction. |
Molecular Weight: | 190.28 |
Molecular Formula: | C10H22O3 |
Canonical SMILES: | CCCOC(OCCC)OCCC |
InChI: | InChI=1S/C10H22O3/c1-4-7-11-10(12-8-5-2)13-9-6-3/h10H,4-9H2,1-3H3 |
InChI Key: | RWNXXQFJBALKAX-UHFFFAOYSA-N |
Boiling Point: | 106-108 ℃ (40 mmHg) |
Purity: | > 98.0 % (GC) |
Density: | 0.879 g/cm3 |
Appearance: | Liquid |
MDL: | MFCD00015214 |
LogP: | 2.54980 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
18680290 | 20080827 | Supramolecular catalysis of orthoformate hydrolysis in basic solution: an enzyme-like mechanism | Journal of the American Chemical Society |
Complexity: | 77.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.15689456 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.15689456 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 27.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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