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ε-Decalactone - ≥99%, high purity , CAS No.5579-78-2

COA

Grade & Purity:

≥99%

Cas Number: 5579-78-2
Molecular Weight: 170.25
MDL number: MFCD00209538
PubChem CID: 62583

In stock

Item Number

D465508

Grouped product items
SKU	Size	Availability	Price
D465508-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$16.90
D465508-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$49.90
D465508-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$149.90
D465508-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$419.90

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Edible spice (1) Food additives (3)

Basic Description

Synonyms	FT-0693270 \| 7-Butyl-2-oxepanone, 9CI, 8CI \| Epsilon-decalactone \| 6-Butylhexan-6-olide \| 2-OXEPANONE, 7-BUTYL \| 2-OXEPANONE, 7-BUTYL- \| 6-decanolide \| BRN 0117541 \| CHEBI:180234 \| NCGC00256889-01 \| 6-Butylhexanolide \| UNII-662W32KL4O \| 6-HYDROXYDECANOIC
Specifications & Purity	≥99%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Lactones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Lactones
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Lactones
Alternative Parents	Oxepanes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Caprolactone - Oxepane - Lactone - 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 lactones. These are cyclic esters of hydroxy carboxylic acids, containing a 1-oxacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring.
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

IUPAC Name	7-butyloxepan-2-one
INCHI	InChI=1S/C10H18O2/c1-2-3-6-9-7-4-5-8-10(11)12-9/h9H,2-8H2,1H3
InChIKey	YKVIWISPFDZYOW-UHFFFAOYSA-N
Smiles	CCCCC1CCCCC(=O)O1
Isomeric SMILES	CCCCC1CCCCC(=O)O1
Molecular Weight	170.25
Reaxy-Rn	117541
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=117541&ln=

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.

9 results found

Lot Number	Certificate Type	Date	Item
C2512409	Certificate of Analysis	Oct 14, 2024	D465508
C2512412	Certificate of Analysis	Oct 14, 2024	D465508
C2512559	Certificate of Analysis	Oct 14, 2024	D465508
C2512561	Certificate of Analysis	Oct 14, 2024	D465508
C2512562	Certificate of Analysis	Oct 14, 2024	D465508
C2512565	Certificate of Analysis	Oct 14, 2024	D465508
C2512566	Certificate of Analysis	Oct 14, 2024	D465508
J2424556	Certificate of Analysis	Oct 14, 2024	D465508
J2424558	Certificate of Analysis	Oct 14, 2024	D465508

Chemical and Physical Properties

Refractive Index	n20/D 1.461 (lit.)
Flash Point(°F)	235.4 °F - closed cup
Flash Point(°C)	113 °C - closed cup
Boil Point(°C)	117℃/3mmHg (lit.)
Molecular Weight	170.250 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	170.131 Da
Monoisotopic Mass	170.131 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	143.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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