CAS 109-52-4|Pentanoic acid
Introduction：Basic information about CAS 109-52-4|Pentanoic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| 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 | ChineseUSA | Flash Point | 88.9±0.0 °C |
| Symbol | GHS05, GHS07 | Signal Word | Danger |
Names
| Name | valeric acid |
|---|---|
| Synonym | More Synonyms |
Pentanoic acid BiologicalActivity
| 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 >>ROCKSignaling Pathways >>Stem Cell/Wnt >>ROCKSignaling Pathways >>TGF-beta/Smad >>ROCKNatural Products >>Acids and AldehydesResearch 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) |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 600 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,119,1982
- TYPE OF TEST :
- LC50 - Lethal concentration, 50 percent kill
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 4100 mg/m3/2H
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,119,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 3590 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPPMAB Journal of Pharmacy and Pharmacology. (Pharmaceutical Soc. of Great Britain, 1 Lambeth High St., London SEI 7JN, UK) V.1- 1949- Volume(issue)/page/year: 21,85,1969
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 3590 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPPMAB Journal of Pharmacy and Pharmacology. (Pharmaceutical Soc. of Great Britain, 1 Lambeth High St., London SEI 7JN, UK) V.1- 1949- Volume(issue)/page/year: 21,85,1969
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1290 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory depression
- REFERENCE :
- APTOA6 Acta Pharmacologica et Toxicologica. (Copenhagen, Denmark) V.1-59, 1945-86. For publisher information, see PHTOEH Volume(issue)/page/year: 18,141,1961 *** REVIEWS *** TOXICOLOGY REVIEW AMIHAB AMA Archives of Industrial Health. (Chicago, IL) V.11-21, 1955-60. For publisher information, see AEHLAU. Volume(issue)/page/year: 21,100,1960 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84212 No. of Facilities: 21 (estimated) No. of Industries: 1 No. of Occupations: 3 No. of Employees: 497 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84212 No. of Facilities: 79 (estimated) No. of Industries: 2 No. of Occupations: 8 No. of Employees: 4510 (estimated) No. of Female Employees: 780 (estimated)
Safety Information
| 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 |
Customs
| 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% |
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Synonyms
| 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 |
