Shanghai Jizhi Biochemical Technology Co., Ltd
China
Product Name: Pentanoic acid
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Purity: 98.0%
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DC Chemicals Limited
China
Product Name: Pentanoic acid
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Purity: 98.0%
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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Valeric acid
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Henan Tianfu Chemical Co., Ltd.
China
Product Name: Valeric acid
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Purity: 99.0%
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Contact: Anson

109-52-4

109-52-4 structure

Name: Pentanoic acid
Chemical Name: valeric acid
CAS Number: 109-52-4
Molecular Formula: C₅H₁₀O₂
Molecular Weight: 102.132
Catalog: Organic raw materials Carboxylic compounds and derivatives Acyclic carboxylic acid
Create Date: 2018-02-07 08:00:00
Modify Date: 2024-01-02 17:39:44
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.

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	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.

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
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

Precursor 10
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
DownStream 10
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

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%

109-52-4	38765-82-1
1173023-05-6	115871-50-6
13880-74-5	5434-69-5
1578-56-9	617-31-2
97547-93-8	3302-06-5