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Merck
CN

80693

(±)-2-Propyl-4-pentenoic acid

analytical standard

Synonym(s):

2-Allylpentanoic acid

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About This Item

Empirical Formula (Hill Notation):
C8H14O2
CAS Number:
1575-72-0
Molecular Weight:
142.20
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329769036
MDL number:
MFCD00869309
Beilstein/REAXYS Number:
1704069

Key Documents

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InChI key

UMYDNZXEHYSVFY-UHFFFAOYSA-N

SMILES string

C=CCC(CCC)C(O)=O

InChI

1S/C8H14O2/c1-3-5-7(6-4-2)8(9)10/h3,7H,1,4-6H2,2H3,(H,9,10)

grade

analytical standard

assay

≥97.0% (GC)

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

application(s)

pharmaceutical

format

neat

storage temp.

2-8°C

Quality Level

100

General description

2-Propyl-4-pentenoic acid is the main teratogenic and hepatotoxic metabolite of valproic acid, an anticonvulsant prescribed for treating seizures and for the maintenance phase of bipolar disorders.

Application

2-Propyl-4-pentenoic acid may be used as an analytical standard for the determination of the analyte in biological samples by various chromatography-based techniques.

Other Notes

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

pictograms

Skull and crossbones
GHS06

signalword

Danger

hcodes

H301

Hazard Classifications

Acute Tox. 3 Oral

Storage Class

6.1D - Non-combustible acute toxic Cat.3 / toxic hazardous materials or hazardous materials causing chronic effects

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
BCCG1084
BCCD4710
BCBZ2002
BCBT6083
BCBT4384

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Quantification of valproic acid and its metabolite 2-propyl-4-pentenoic acid in human plasma using HPLC-MS/MS
Cheng H, et al.
Journal of Chromatography. B, Biomedical Sciences and Applications, 850(1-2), 206-212 (2007)
Determination of valproic acid and its metabolites using gas chromatography with mass-selective detection: application to serum and urine samples from sheep
Yu D, et al.
Journal of Chromatography. B, Biomedical Sciences and Applications, 666(2), 269-281 (1995)
Comparative toxicity of valproic acid and its metabolites in liver slices from adult rats, weanling rats and humans
Fisher RL, et al.
Toxicology in vitro, 8(3), 371-379 (1994)
Cheng Chang et al.
Molecular pharmacology, 94(2), 823-833 (2018-06-02)
Kynurenic acid (KYNA) plays a significant role in maintaining normal brain function, and abnormalities in KYNA levels have been associated with various central nervous system disorders. Confirmation of its causality in human diseases requires safe and effective modulation of central
Prophylactic efficacy of lithium, valproic acid, and carbamazepine in the maintenance phase of bipolar disorder: a naturalistic study
Peselow ED, et al.
International Clinical Psychopharmacology, 31(4), 218-223 (2016)
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