4-Benzyloxybutyric acid - CAS 10385-30-5
Catalog: |
BB001234 |
Product Name: |
4-Benzyloxybutyric acid |
CAS: |
10385-30-5 |
Synonyms: |
4-phenylmethoxybutanoic acid |
IUPAC Name: | 4-phenylmethoxybutanoic acid |
Description: | 4-Benzyloxybutyric acid (CAS# 10385-30-5) is a useful research chemical. |
Molecular Weight: | 194.23 |
Molecular Formula: | C11H14O3 |
Canonical SMILES: | C1=CC=C(C=C1)COCCCC(=O)O |
InChI: | InChI=1S/C11H14O3/c12-11(13)7-4-8-14-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,12,13) |
InChI Key: | CXEFZVVLTJQWBF-UHFFFAOYSA-N |
Boiling Point: | 135 ℃0.3 mmHg (lit.) |
Purity: | 95 % |
Density: | 1.097 g/mL at 25 ℃ (lit.) |
Appearance: | Colorless to yellow liquid |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD01321257 |
LogP: | 2.06800 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111440046-A | Synthesis method of sex pheromone (S) -14-methyl-1-octadecene of lepidoptera pest peach leaf miner | 20200305 |
US-2021186935-A1 | Rapamycin analogs and uses thereof | 20191205 |
WO-2021113665-A1 | Rapamycin analogs and uses thereof | 20191205 |
WO-2021043951-A1 | Drug antibody conjugates | 20190905 |
CN-111825694-A | Fused ring compound, preparation method and application thereof | 20190418 |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.094294304 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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