CAS Number109-52-4
SynonymsValeric Acid, Reagent; 3-(methylsulfanyl)propanoic acid; N-Valeric Acid; EINECS 203-677-2; Valeric acid; N-Valeric Acid(Pentanoic Acid); N-VALERICACID(PENTANOICACID); VALERIC ACID(SG); VALERIC ACID/PENTANOIC ACID; MFCD00004413; N-PENTANOIC ACID; VALERICACID; PENTANOIC ACID (VALERIC); Pentanoic acid
Molecular FormulaCH3(CH2)3COOH
Molecular Weight102.13
Purity≥99%
Density1.0±0.1 g/cm3
Boiling Point110-111 °C/10 mmHg (lit.)
Melting Point−20-−18 °C (lit.)
Appearanceliquid
EINECS203-677-2
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 109-52-4 |
| Catalog No. | 2A-9018677 |
| Chinese Name | 正戊酸 |
| Synonyms | Valeric Acid, Reagent; 3-(methylsulfanyl)propanoic acid; N-Valeric Acid; EINECS 203-677-2; Valeric acid; N-Valeric Acid(Pentanoic Acid); N-VALERICACID(PENTANOICACID); VALERIC ACID(SG); VALERIC ACID/PENTANOIC ACID; MFCD00004413; N-PENTANOIC ACID; VALERICACID; PENTANOIC ACID (VALERIC); Pentanoic acid |
| Molecular Formula | CH3(CH2)3COOH |
| Molecular Weight | 102.13 |
| Purity | ≥99 |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 110-111 °C/10 mmHg (lit.) |
| Melting Point | −20-−18 °C (lit.) |
| Appearance | liquid |
| Water Solubility | 40 g/L (20 ºC) |
| Storage Condition | 1. Store in a cool, ventilated warehouse. Keep awa |
| Packaging | III |
| Application | Pentanoic acid is a short-chain fatty acid, a bacterial metabolite, and is related to allergic skin diseases. Pentanoic acid activates the ROCK signaling pathway. |
| EINECS | 203-677-2 |
| HTC | 2915600000 |
| PubChem ID | 24854415 |
| MDL Number | MFCD00004413 |
| SMILES | CCCCC(O)=O |
| InChI | 1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7) |
| InChI Key | NQPDZGIKBAWPEJ-UHFFFAOYSA-N |
| Beilstein/REAXYS | 969454 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | 8 |
| MSDS | msds/18677_1_109_52_4.pdf |
| Bioactivity | Pentanoic acid, a short-chain fatty acid, is a product of bacterial metabolism and are associated with allergic skin disorders. Pentanoic acid activates ROCK signaling pathway. Related Catalog Signaling Pathways >> Cell Cycle/DNA Damage >> ROCK Signaling Pathways >> Stem Cell/Wnt >> ROCK Signaling Pathways >> TGF-beta/Smad >> ROCK Natural Products >> Acids and Aldehydes Research Areas >> Inflammation/Immunology Target Human Endogenous Metabolite ROCK In Vitro Pentanoic acid, a short-chain fatty acid, is a product of bacterial metabolism and are associated with allergic skin disorders. Pentanoic acid (0-2 mM) strongly and dose-dependently induces thymic stromal lymphopoietin (TSLP) production in PAM212 cells. Pentanoic acid slightly induces the expression of Tnfa, Il1b and Il6 mRNA, but does not induce the protein levels of TNF-α expression. Pentanoic acid (2 mM) induced-TSLP production in keratinocytes is not related to FFAR2 and FFAR3, but mediated by activating ROCK signaling pathway, and is competetely inhibited by co-inhibition of Gq/11 and the ROCK signaling pathway[1]. Cell Assay PAM212 murine keratinocytes are derived from BALB/c mouse skin. PAM212 cells are cultured in alpha minimal essential medium containing 10% heat-inactivated fetal bovine serum, penicillin G (15 μg/mL), and streptomycin (50 μg/mL) in a humidified atmosphere of 5% CO2/95% air at 37°C. Cells seeded at 50,000 cells/mL are grown for 24 h in culture medium. Cells are stimulated with Pentanoic acid for an appropriate period. Pretreatment with Y-27632, a highly potent and selective inhibitor of Rho-associated, coiled-coil containing protein kinase (ROCK), is carried out for 1 h, whereas pretreatment with YM-254890, a specific Gq/11 inhibitor, is carried out for 30 min[1]. References [1]. Mizuno N, et al. Pentanoic acid induces thymic stromal lymphopoietin production through Gq/11 and Rho-associated protein kinase signaling pathway in keratinocytes. Int Immunopharmacol. 2017 Sep;50:216-223. Chemical & Physical Properties Density 1.0±0.1 g/cm3 Boiling Point 185.3±3.0 °C at 760 mmHg Melting Point −20-−18 °C(lit.) Molecular Formula C5H10O2 Molecular Weight 102.132 Flash Point 88.9±0.0 °C Exact Mass 102.068077 PSA 37.30000 LogP 1.31 Vapour density 3.5 (vs air) Vapour Pressure 0.5±0.4 mmHg at 25°C Index of Refraction 1.421 InChIKey NQPDZGIKBAWPEJ-UHFFFAOYSA-N SMILES CCCCC(=O)O Water Solubility 40 g/L (20 ºC) |
| Use of | Pentanoic acid, a short-chain fatty acid, is a product of bacterial metabolism and are associated with allergic skin disorders. Pentanoic acid activates ROCK signaling pathway. Properties Articles74 Name valeric acid Synonym More Synonyms Pentanoic acid Biological Activity Description Pentanoic acid, a short-chain fatty acid, is a product of bacterial metabolism and are associated with allergic skin disorders. Pentanoic acid activates ROCK signaling pathway. Related Catalog Signaling Pathways >> Cell Cycle/DNA Damage >> ROCK Signaling Pathways >> Stem Cell/Wnt >> ROCK Signaling Pathways >> TGF-beta/Smad >> ROCK Natural Products >> Acids and Aldehydes Research Areas >> Inflammation/Immunology Human Endogenous Metabolite References [1]. Mizuno N, et al. Pentanoic acid induces thymic stromal lymphopoietin production through Gq/11 and Rho-associated protein kinase signaling pathway in keratinocytes. Int Immunopharmacol. 2017 Sep;50:216-223. Chemical & Physical Properties Molecular Formula C5H10O2 Exact Mass 102.068077 PSA 37.30000 Vapour density 3.5 (vs air) Index of Refraction 1.421 InChIKey NQPDZGIKBAWPEJ-UHFFFAOYSA-N SMILES CCCCC(=O)O |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 5.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: Chemical name |
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