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Merck
CN

80693

Supelco

(±)-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
Beilstein:
1704069
MDL number:
MFCD00869309
UNSPSC Code:
41116107
PubChem Substance ID:
329769036
NACRES:
NA.24

Key Documents

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grade

analytical standard

Quality Level

100

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

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)

InChI key

UMYDNZXEHYSVFY-UHFFFAOYSA-N

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

Signal Word

Danger

Hazard Statements

H301

Precautionary Statements

P301 + P310

Hazard Classifications

Acute Tox. 3 Oral

Storage Class Code

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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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)
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)
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)
Wojciech Jawień et al.
Pharmacological reports : PR, 69(2), 340-349 (2017-02-12)
Valproic acid (VPA) is a first-line antiepileptic drug. It is used in the treatment of many different types of partial and generalized epileptic seizures. Though the clinical pharmacokinetics of VPA has been well defined, information about pharmacokinetics after overdoses is
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