4-Phenyl-2-butanol - CAS 2344-70-9
Catalog: |
BB018057 |
Product Name: |
4-Phenyl-2-butanol |
CAS: |
2344-70-9 |
Synonyms: |
4-phenylbutan-2-ol |
IUPAC Name: | 4-phenylbutan-2-ol |
Description: | 4-Phenyl-2-butanol (CAS# 2344-70-9) is a reagent used for the direct alkylation of amines with primary and secondary alcohols through biocatalytic hydrogen borrowing. It is also used in the preparation of personal care composition comprising malodor reduction compositions. |
Molecular Weight: | 150.22 |
Molecular Formula: | C10H14O |
Canonical SMILES: | CC(CCC1=CC=CC=C1)O |
InChI: | InChI=1S/C10H14O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3 |
InChI Key: | GDWRKZLROIFUML-UHFFFAOYSA-N |
Boiling Point: | 132 °C (14 mmHg) |
Purity: | 98 % |
Density: | 0.97 g/cm3 |
Solubility: | 1885 mg/L at 25 °C (est) |
Appearance: | Clear colourless liquid |
Storage: | Store in a cool, dry place. Keep container closed when not in use. |
MDL: | MFCD00044349 |
LogP: | 2.00000 |
Publication Number | Title | Priority Date |
WO-2021123144-A1 | Pro-perfume compositions | 20191220 |
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WO-2020206296-A1 | Low voc multifunctional additives to improve waterborne polymer film properties | 20190405 |
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PMID | Publication Date | Title | Journal |
23381774 | 20130701 | Biochemical characterization of an alcohol dehydrogenase from Ralstonia sp | Biotechnology and bioengineering |
20405933 | 20100521 | Aminodifluorosulfinium salts: selective fluorination reagents with enhanced thermal stability and ease of handling | The Journal of organic chemistry |
20131860 | 20100301 | Use of perfluorinated phosphines to provide thermomorphic anticancer complexes for heat-based tumor targeting | Inorganic chemistry |
17283007 | 20070201 | A Thermoanaerobacter ethanolicus secondary alcohol dehydrogenase mutant derivative highly active and stereoselective on phenylacetone and benzylacetone | Protein engineering, design & selection : PEDS |
16545927 | 20060511 | Enhancing effect of alpha-hydroxyacids on 'in vitro' permeation across the human skin of compounds with different lipophilicity | International journal of pharmaceutics |
Complexity: | 95 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 150.104465066 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 150.104465066 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 20.2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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