5-Phenylvaleric acid - CAS 2270-20-4
Catalog: |
BB017715 |
Product Name: |
5-Phenylvaleric acid |
CAS: |
2270-20-4 |
Synonyms: |
5-phenylpentanoic acid |
IUPAC Name: | 5-phenylpentanoic acid |
Description: | 5-Phenylvaleric acid (CAS# 2270-20-4) is a useful research chemical. |
Molecular Weight: | 178.23 |
Molecular Formula: | C11H14O2 |
Canonical SMILES: | C1=CC=C(C=C1)CCCCC(=O)O |
InChI: | InChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13) |
InChI Key: | BYHDDXPKOZIZRV-UHFFFAOYSA-N |
Boiling Point: | 177-178 °C (13 mmHg) |
Melting Point: | 57-60 °C |
Purity: | > 98 % |
Density: | 1.071 g/cm3 |
Solubility: | 0.61 mg/mL at 25 °C |
Appearance: | White crystals. |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00004416 |
LogP: | 2.48400 |
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 |
CN-112679482-A | Itraconazole-based Smo inhibitor and preparation method and application thereof | 20201229 |
CN-213643205-U | Degassing kettle for producing carboxylic styrene-butadiene latex | 20200928 |
CN-112176765-A | High-transfer-precision thermal sublimation dye adsorption coating formula | 20200918 |
CN-213541355-U | Conveying pipeline valve for producing carboxylic styrene-butadiene latex | 20200908 |
CN-111825881-A | Preparation method of antiviral total heat exchange fresh air membrane | 20200714 |
PMID | Publication Date | Title | Journal |
22223342 | 20120101 | Protective effects of 4-phenylbutyrate derivatives on the neuronal cell death and endoplasmic reticulum stress | Biological & pharmaceutical bulletin |
21309710 | 20110201 | Identification of organic compounds in San Diego de los Baños Peloid (Pinar del Río, Cuba) | Journal of alternative and complementary medicine (New York, N.Y.) |
20801915 | 20110101 | Activation of the plant mitochondrial potassium channel by free fatty acids and acyl-CoA esters: a possible defence mechanism in the response to hyperosmotic stress | Journal of experimental botany |
17664252 | 20071101 | Specificity of procaine and ester hydrolysis by human, minipig, and rat skin and liver | Drug metabolism and disposition: the biological fate of chemicals |
17651701 | 20070915 | Inter-individual variability in esterases in human liver | Biochemical pharmacology |
Complexity: | 148 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.099379685 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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