3-Phenylbutyraldehyde - CAS 16251-77-7
Catalog: |
BB011880 |
Product Name: |
3-Phenylbutyraldehyde |
CAS: |
16251-77-7 |
Synonyms: |
3-phenylbutanal |
IUPAC Name: | 3-phenylbutanal |
Description: | 3-Phenylbutyraldehyde (CAS# 16251-77-7) is used as a reactant in the IBX-mediated amine oxidations and dithiane deprotections. |
Molecular Weight: | 148.20 |
Molecular Formula: | C10H12O |
Canonical SMILES: | CC(CC=O)C1=CC=CC=C1 |
InChI: | InChI=1S/C10H12O/c1-9(7-8-11)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3 |
InChI Key: | MYHGOWDLVRDUFA-UHFFFAOYSA-N |
Boiling Point: | 209.2 °C at 760 mmHg |
Flash Point: | 96.7°C |
Density: | 0.997 g/mL at 25 °C (lit.) |
Solubility: | water, 623.9 mg/L @ 25 °C (est) |
Appearance: | Colorless liquid |
MDL: | MFCD00010698 |
LogP: | 2.37910 |
Refractive Index: | n20/D 1.5179(lit.) |
GHS Hazard Statement: | Not Classified |
Precautionary Statement: | P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-102242940-B1 | Method for preparing a non-reducing cleaning composition containing vegetable extracts and a non-reducing cleaning composition prepared thereby | 20210119 |
WO-2021165426-A1 | Antimicrobial compositions | 20200221 |
WO-2021133915-A1 | Ectonucleotide pyrophosphatase/phosphodiesterase 1 (enpp1) modulators and uses thereof | 20191223 |
WO-2021123110-A1 | Semi-solid natural perfume | 20191220 |
WO-2021123144-A1 | Pro-perfume compositions | 20191220 |
PMID | Publication Date | Title | Journal |
15812786 | 20050401 | Inversion of stereoselectivity by applying mutants of the hydroxynitrile lyase from Manihot esculenta | Chembiochem : a European journal of chemical biology |
Complexity: | 114 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 148.088815002 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 148.088815002 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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