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Jasmolactone - ≥95%, high purity , CAS No.32764-98-0

COA

Grade & Purity:

≥95%

Cas Number: 32764-98-0
Molecular Weight: 168.23
MDL number: MFCD09834514
PubChem CID: 6438319
PubChem SID: 488195787

In stock

Item Number

J463459

Grouped product items
SKU	Size	Availability	Price
J463459-1g	1g	2	$16.90
J463459-5g	5g	3	$65.90
J463459-25g	25g	2	$267.90
J463459-100g	100g	1	$890.90

Basic Description

Synonyms	Q27268971 \| UNII-54BB3B7XMZ \| 6-[(3E)-PENT-3-EN-1-YL]OXAN-2-ONE \| MFCD09834514 \| NSC 89168 \| 7X6V7238MB \| 6-[(3E)-pent-3-en-1-yl]tetrahydro-2H-pyran-2-one \| 2H-Pyran-2-one, tetrahydro-6-(3E)-3-penten-1-yl- \| AKOS006327495 \| petal pyranone \| (E)-6-(pent-3-
Specifications & Purity	≥95%

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Lactones
    - Subclass Delta valerolactones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Lactones
Subclass	Delta valerolactones
Intermediate Tree Nodes	Not available
Direct Parent	Delta valerolactones
Alternative Parents	Oxanes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Delta_valerolactone - Delta valerolactone - Oxane - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety.
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	488195787
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488195787
IUPAC Name	6-[(E)-pent-3-enyl]oxan-2-one
INCHI	InChI=1S/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h2-3,9H,4-8H2,1H3/b3-2+
InChIKey	NBCMACYORPIYNY-NSCUHMNNSA-N
Smiles	CC=CCCC1CCCC(=O)O1
Isomeric SMILES	C/C=C/CCC1CCCC(=O)O1
Molecular Weight	168.23
Reaxy-Rn	1563500
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1563500&ln=

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

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

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
H2315506	Certificate of Analysis	Jul 22, 2023	J463459
H2315508	Certificate of Analysis	Jul 22, 2023	J463459
H2315397	Certificate of Analysis	Jul 22, 2023	J463459
H2315398	Certificate of Analysis	Jul 22, 2023	J463459
H2315509	Certificate of Analysis	Jul 22, 2023	J463459
H2315504	Certificate of Analysis	Jul 22, 2023	J463459
H2315505	Certificate of Analysis	Jul 22, 2023	J463459
H2315507	Certificate of Analysis	Jul 22, 2023	J463459

Chemical and Physical Properties

Molecular Weight	168.230 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	168.115 Da
Monoisotopic Mass	168.115 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	173.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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