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V9759

Valeric acid

Name: Valeric acid
Brand: SIGMA

BioXtra, ≥99%

Synonym(s):

n-Valeric acid, Pentanoic acid

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About This Item

Linear Formula:

CH₃(CH₂)₃COOH

CAS Number:

109-52-4

Molecular Weight:

102.13

EC Number:

203-677-2

UNSPSC Code:

12352100

MDL number:

MFCD00004413

Beilstein/REAXYS Number:

969454

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vapor density

3.5 (vs air)

vapor pressure

0.15 mmHg ( 20 °C)

product line

BioXtra

assay

≥99%

autoignition temp.

707 °F

expl. lim.

7.6 %

impurities

≤0.0005% Phosphorus (P)

ign. residue

≤0.1%

refractive index

n20/D 1.408 (lit.)

bp

110-111 °C/10 mmHg (lit.), 185 °C (lit.)

mp

−20-−18 °C (lit.)

density

0.939 g/mL at 25 °C (lit.)

anion traces

chloride (Cl^-): ≤0.05%, sulfate (SO₄^2-): ≤0.05%

cation traces

Al: ≤0.0005%, Ca: ≤0.0005%, Cu: ≤0.0005%, Fe: ≤0.01%, K: ≤0.005%, Mg: ≤0.0005%, NH₄⁺: ≤0.05%, Na: ≤0.005%, Pb: ≤0.001%, Zn: ≤0.0005%

SMILES string

CCCCC(O)=O

InChI

1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)

InChI key

NQPDZGIKBAWPEJ-UHFFFAOYSA-N

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pictograms

GHS05

signalword

Danger

hcodes

H314,H412

pcodes

P273 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363

Hazard Classifications

Aquatic Chronic 3 - Eye Dam. 1 - Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk

WGK 1

flash_point_f

192.2 °F - closed cup

flash_point_c

89 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

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Molecular modifications on carboxylic acid derivatives as potent histone deacetylase inhibitors: Activity and docking studies.

Gamze Bora-Tatar et al.

Bioorganic & medicinal chemistry, 17(14), 5219-5228 (2009-06-13)

In the light of known HDAC inhibitors, 33 carboxylic acid derivatives were tested to understand the structural requirements for HDAC inhibition activity. Several modifications were applied to develop the structure-activity relationships of carboxylic acid HDAC inhibitors. HDAC inhibition activities were

A predictive ligand-based Bayesian model for human drug-induced liver injury.

Sean Ekins et al.

Drug metabolism and disposition: the biological fate of chemicals, 38(12), 2302-2308 (2010-09-17)

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 predictive in vivo, in vitro, and in silico models to identify compounds

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