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109-52-4

109-52-4 structure
109-52-4 structure
Name valeric acid
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
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

[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.
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
Water Solubility 40 g/L (20 ºC)

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YV6100000
CHEMICAL NAME :
Valeric acid
CAS REGISTRY NUMBER :
109-52-4
BEILSTEIN REFERENCE NO. :
0969454
LAST UPDATED :
199710
DATA ITEMS CITED :
11
MOLECULAR FORMULA :
C5-H10-O2
MOLECULAR WEIGHT :
102.15
WISWESSER LINE NOTATION :
QV4

HEALTH HAZARD DATA

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)
Symbol GHS05 GHS07
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
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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