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Piperonylacetone - >98.0%(GC), high purity , CAS No.55418-52-5

COA

Grade & Purity:

≥98%(GC)

Cas Number: 55418-52-5
Molecular Weight: 192.21
MDL number: MFCD00016910
PubChem CID: 62098
PubChem SID: 488183550

In stock

Item Number

P160521

Grouped product items
SKU	Size	Availability	Price
P160521-5g	5g	7	$25.90
P160521-25g	25g	3	$98.90
P160521-100g	100g	2	$355.90
P160521-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,600.90

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Dioxane (70) Five-Membered Heterocyclic Compounds (2064)

Basic Description

Synonyms	EN300-01368 \| 3,4-Methylenedioxybenzylacetone \| 4-[3,4-(methylenedioxy) phenyl]butan-2-one \| AKOS001021134 \| MFCD00016910 \| 2-Butanone, 4-[1,3-benzodioxol-5-yl]- \| 2-Butanone,3-benzodioxol-5-yl)- \| AS-15349 \| EINECS 259-630-1 \| HY-W027872 \| 4-(1,3-Benzodi
Specifications & Purity	≥98%(GC)
Shipped In	Normal

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	Benzenoids Ketones Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzodioxole - Benzenoid - Ketone - Oxacycle - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen 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	Not available
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

Names and Identifiers

Pubchem Sid	488183550
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488183550
IUPAC Name	4-(1,3-benzodioxol-5-yl)butan-2-one
INCHI	InChI=1S/C11H12O3/c1-8(12)2-3-9-4-5-10-11(6-9)14-7-13-10/h4-6H,2-3,7H2,1H3
InChIKey	TZJLGGWGVLADDN-UHFFFAOYSA-N
Smiles	CC(=O)CCC1=CC2=C(C=C1)OCO2
Isomeric SMILES	CC(=O)CCC1=CC2=C(C=C1)OCO2
PubChem CID	62098
Molecular Weight	192.21
Reaxy-Rn	169843

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot Number	Certificate Type	Date	Item
K1922140	Certificate of Analysis	Sep 08, 2023	P160521
L2209162	Certificate of Analysis	Dec 24, 2022	P160521

Chemical and Physical Properties

Solubility	Solubility in Methanol almost transparency
Boil Point(°C)	165°C/12mmHg
Melt Point(°C)	50.0-54.0°C
Molecular Weight	192.210 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	192.079 Da
Monoisotopic Mass	192.079 Da
Topological Polar Surface Area	35.500 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	215.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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