piperic acid - ≥98% , CAS No.136-72-1

CAS: 136-72-1 Cat. No.: P709717 Molecular Weight: 218.21 EC Number: 883-506-1

COA

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piperic acid - ≥98% CAS No(136-72-1) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥98%

Synonyms

Piperic acid | (E,E)-piperic acid | 5-(3,4-Methylenedioxyphenyl)-2,4-pentadienoic acid | Piperonic acid | (2E，4E)-5-(Benzo[d][1，3]dioxol-5-yl)penta-2，4-dienoicacid

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature,Argon charged Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms

Piperic acid | (E, E)-piperic acid | 5-(3, 4-Methylenedioxyphenyl)-2, 4-pentadienoic acid | Piperonic acid | (2E，4E)-5-(Benzo[d][1，3]dioxol-5-yl)penta-2，4-dienoicacid

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Canonical Smiles	C1OC2=C(O1)C=C(C=C2)C=CC=CC(=O)O
IUPAC Name	(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoic acid
InChIKey	RHBGITBPARBDPH-ZPUQHVIOSA-N
INCHI	1S/C12H10O4/c13-12(14)4-2-1-3-9-5-6-10-11(7-9)16-8-15-10/h1-7H,8H2,(H,13,14)/b3-1+,4-2+
Isomeric SMILES	C1OC2=C(O1)C=C(C=C2)/C=C/C=C/C(=O)O
Molecular Weight	218.21
Reaxy-Rn	8128541
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8128541&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzodioxoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzodioxoles
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzodioxoles
Alternative Parents	Styrenes Medium-chain fatty acids Heterocyclic fatty acids Unsaturated fatty acids Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzodioxole - Styrene - Medium-chain fatty acid - Heterocyclic fatty acid - Unsaturated fatty acid - Benzenoid - Fatty acid - Fatty acyl - Acetal - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
External Descriptors	benzodioxoles - alpha,beta-unsaturated monocarboxylic acid
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Associated Targets(Human)

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HDAC3 Tclin Histone deacetylase 3 (3654 Activities)

Discover Target: HDAC3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

A498 (42825 Activities)

Lot Number	Certificate Type	Date	Item
C2506589	Certificate of Analysis	Oct 17, 2024	P709717
C2506590	Certificate of Analysis	Oct 17, 2024	P709717
C2506591	Certificate of Analysis	Oct 17, 2024	P709717
C2506592	Certificate of Analysis	Oct 17, 2024	P709717
C2506593	Certificate of Analysis	Oct 17, 2024	P709717
C2506594	Certificate of Analysis	Oct 17, 2024	P709717

Molecular Weight	218.200 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	218.058 Da
Monoisotopic Mass	218.058 Da
Topological Polar Surface Area	55.800 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	308.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	2
Covalently-Bonded Unit Count	1