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δ-Dodecalactone - 98%, high purity , CAS No.713-95-1

COA

Grade & Purity:

≥98%

Cas Number: 713-95-1
Molecular Weight: 198.3
Beilstein Registry Number: 1282749
EC Number: 211-932-4
MDL number: MFCD00006651
PubChem CID: 12844
PubChem SID: 504752399

In stock

Item Number

D107525

Grouped product items
SKU	Size	Availability	Price
D107525-25ml	25ml	2	$20.90
D107525-100ml	100ml	1	$75.90
D107525-500ml	500ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$338.90

View related series

lactone (49) Monocyclic tetrahydropyrans (10)

Basic Description

Synonyms	n-Heptyl-delta-valerolactone \| AI3-36030 \| SB47814 \| SCHEMBL114922 \| 33DIC582TL \| D70226 \| InChI=1/C12H22O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h11H,2-10H2,1H3 \| .delta.-Dodecalactone \| AI 3-36030 \| Dodecanoic acid, 5-hydroxy-, .delta.-lactone \| 5-Hydrox
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Argon charged
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
    - 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	Lactones
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504752399
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504752399
IUPAC Name	6-heptyloxan-2-one
INCHI	InChI=1S/C12H22O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h11H,2-10H2,1H3
InChIKey	QRPLZGZHJABGRS-UHFFFAOYSA-N
Smiles	CCCCCCCC1CCCC(=O)O1
Isomeric SMILES	CCCCCCCC1CCCC(=O)O1
WGK Germany	2
RTECS	UQ0850000
Molecular Weight	198.3
Beilstein	1282749
Reaxy-Rn	1282749
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1282749&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.

10 results found

Lot Number	Certificate Type	Date	Item
G2503013	Certificate of Analysis	May 13, 2024	D107525
F2428216	Certificate of Analysis	May 13, 2024	D107525
F2428217	Certificate of Analysis	May 13, 2024	D107525
F2428218	Certificate of Analysis	May 13, 2024	D107525
D2408094	Certificate of Analysis	Aug 03, 2023	D107525
H2323627	Certificate of Analysis	Aug 03, 2023	D107525
H2323764	Certificate of Analysis	Aug 03, 2023	D107525
H2323770	Certificate of Analysis	Aug 03, 2023	D107525
H2323774	Certificate of Analysis	Aug 03, 2023	D107525
H2323606	Certificate of Analysis	Aug 03, 2023	D107525

Chemical and Physical Properties

Solubility	Not miscible or difficult to mix in water.
Sensitivity	Moisture And heat sensitive
Refractive Index	1.46
Flash Point(°F)	235.4 °F
Flash Point(°C)	165 °C
Boil Point(°C)	130 °C/2 mmHg
Melt Point(°C)	-12°C
Molecular Weight	198.300 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	198.162 Da
Monoisotopic Mass	198.162 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	166.000
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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