Pentanoic acid
Pentanoic acid structure
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Common Name | Pentanoic acid | ||
|---|---|---|---|---|
| CAS Number | 109-52-4 | Molecular Weight | 102.132 | |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 185.3±3.0 °C at 760 mmHg | |
| Molecular Formula | C5H10O2 | Melting Point | −20-−18 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 88.9±0.0 °C | |
| Symbol |
GHS05, GHS07 |
Signal Word | Danger | |
Use of Pentanoic acidPentanoic 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. |
Summary: Valeric acid, also known as Pentanoic acid, has a molecular formula of C5H10O2 and a molecular weight of 102.132. It appears as a transparent light cream liquid, with CAS number 109-52-4. Melting point: -20-−18°C, boiling point: 185.3±3.0°C, and density: 1.0±0.1g/cm3. Primarily used for preparing pentanoic acid esters, fragrances, and production of pentanoic esters. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | valeric acid |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| 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 | |
| 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 |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| 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) |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS05, GHS07 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H302-H314-H412 |
| Precautionary Statements | P273-P280-P301 + P312 + P330-P303 + P361 + P353-P304 + P340 + P310-P305 + P351 + P338 |
| Personal Protective Equipment | Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | C:Corrosive |
| Risk Phrases | R34;R52/53 |
| Safety Phrases | S26-S36-S45-S61 |
| RIDADR | UN 3265 8/PG 3 |
| WGK Germany | 1 |
| RTECS | YV6100000 |
| Packaging Group | III |
| Hazard Class | 8 |
| HS Code | 2915600000 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 10 | |
CAS#:71-41-0
CAS#:7433-56-9
CAS#:108-29-2
CAS#:124-04-9
CAS#:110-62-3
CAS#:693-02-7
CAS#:7433-78-5
CAS#:6540-98-3
CAS#:123-76-2
CAS#:591-80-0
CAS#:10522-33-5![14-Butyldibenz[a,h]acridine structure](https://image.chemsrc.com/caspic/022/10457-58-6.png)
CAS#:10457-58-6
CAS#:10415-86-8
CAS#:33083-83-9
CAS#:544-16-1
CAS#:928-45-0
CAS#:591-68-4
CAS#:39815-78-6
CAS#:584-93-0
CAS#:542-28-9This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2915600000 |
|---|---|
| Summary | 2915600000 butanoic acids and pentanoic acids and their salts and esters VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Olfactometry Profiles and Quantitation of Volatile Sulfur Compounds of Swiss Tilsit Cheeses.
J. Agric. Food Chem. 63 , 7511-21, (2015) To establish the odor profiles of three differently fabricated commercial Swiss Tilsit cheeses, analyses were conducted using headspace solid-phase microextraction gas chromatography-mass spectrometry... |
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GC/MS method for determining carbon isotope enrichment and concentration of underivatized short-chain fatty acids by direct aqueous solution injection of biogas digester samples.
Talanta 143 , 56-63, (2015) In anaerobic digestion of organic matter, several metabolic pathways are involved during the simultaneous production and consumption of short-chain fatty acids (SCFA) in general and acetate in particu... |
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A predictive ligand-based Bayesian model for human drug-induced liver injury.
Drug Metab. Dispos. 38 , 2302-8, (2010) Drug-induced liver injury (DILI) is one of the most important reasons for drug development failure at both preapproval and postapproval stages. There has been increased interest in developing predicti... |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Valeric Acid, Reagent |
| PENTANOIC ACID 100 ML |
| 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 |
| PENTANOIC ACID FOR SYNTHESIS |
| MFCD00004413 |
| N-PENTANOIC ACID |
| VALERICACID |
| PENTANOIC ACID (VALERIC) |
| Pentanoic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the safety information for valeric acid? |
| A: Safety information for valeric acid: S26-S36-S45-S61. |
| Q: What is the molecular formula of valeric acid? |
| A: Molecular formula of valeric acid is C5H10O2. |
| Q: What is the molecular weight of valeric acid? |
| A: Molecular weight of valeric acid is 102.132. |
| Q: What is the boiling point of valeric acid? |
| A: Boiling point of valeric acid is 185.3±3.0 °C at 760 mmHg. |
| Q: What is the CAS number of valeric acid? |
| A: CAS number of valeric acid is 109-52-4. |
| Q: What is the LogP of valeric acid? |
| A: LogP of valeric acid is 1.31. |
| Q: What are the downstream products of valeric acid? |
| A: Related downstream products(CAS) of valeric acid: 10522-33-5;10457-58-6;10415-86-8;33083-83-9;544-16-1;928-45-0;591-68-4;39815-78-6;584-93-0;542-28-9. |
| Q: What are the upstream materials of valeric acid? |
| A: Related upstream materials(CAS) of valeric acid: 71-41-0;7433-56-9;108-29-2;124-04-9;110-62-3;693-02-7;7433-78-5;6540-98-3;123-76-2;591-80-0. |
| Q: How is the water solubility of valeric acid? |
| A: Water solubility of valeric acid: 40 g/L (20 ºC). |
| Q: What is the InChIKey of valeric acid? |
| A: InChIKey of valeric acid is NQPDZGIKBAWPEJ-UHFFFAOYSA-N. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |
| Henan Tianfu Chemical Co., Ltd. |