4-Benzyloxy-1-butanol - CAS 4541-14-4
Catalog: |
BB025850 |
Product Name: |
4-Benzyloxy-1-butanol |
CAS: |
4541-14-4 |
Synonyms: |
4-phenylmethoxybutan-1-ol |
IUPAC Name: | 4-phenylmethoxybutan-1-ol |
Description: | 4-Benzyloxy-1-butanol (CAS# 4541-14-4) is used as a reagent in the synthesis of several organic compounds including that of 12-membered macrolide dendrodolide L and a novel class of biodegradable grafted cationic polycarbonates as broad spectrum antimicrobial agents. |
Molecular Weight: | 180.24 |
Molecular Formula: | C11H16O2 |
Canonical SMILES: | C1=CC=C(C=C1)COCCCCO |
InChI: | InChI=1S/C11H16O2/c12-8-4-5-9-13-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2 |
InChI Key: | TYROJDFHUXSBHC-UHFFFAOYSA-N |
Boiling Point: | 216-256 °C |
Purity: | 98 % |
Density: | 1.025 g/cm3 |
Appearance: | Colorless viscous liquid |
MDL: | MFCD00155211 |
LogP: | 1.97570 |
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 |
Publication Number | Title | Priority Date |
WO-2021194318-A1 | Plk1 selective degradation inducing compound | 20200327 |
JP-2021024977-A | Urethane resin composition for paint | 20190807 |
US-2020354318-A1 | Thiosemicarbazates and uses thereof | 20190509 |
WO-2020227592-A1 | Thiosemicarbazates and uses thereof | 20190509 |
CN-110922437-A | Glucose compound, pharmaceutical composition and application thereof | 20180920 |
PMID | Publication Date | Title | Journal |
12926259 | 20030207 | Synthesis of (R)-2-methyl-4-deoxy and (R)-2-methyl-4,5-dideoxy analogues of 6-phosphogluconate as potential inhibitors of 6-phosphogluconate dehydrogenase | Organic & biomolecular chemistry |
Complexity: | 109 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.115029749 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.115029749 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 29.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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