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2-Hexanoylfuran , CAS No.14360-50-0

COA

Grade & Purity:

≥95%

Cas Number: 14360-50-0
Molecular Weight: 166.22
PubChem CID: 61738
PubChem SID: 488183529

In stock

Item Number

H339726

Grouped product items
SKU	Size	Availability	Price	Qty
H339726-5g	5g	6	$88.90
H339726-25g	25g	5	$285.90

a compound found in the oil ofEriobotrya japonicaleaves

Basic Description

Synonyms	1-Hexanone, 1-(2-furyl)- \| 1-Hexanone,1-(2-furanyl)- \| 2-Furyl pentyl ketone \| DTXSID1065760 \| 1-(2-Furyl)-1-hexanone \| 1-Hexanone, 1-(2-furanyl)- \| EINECS 238-333-0 \| N-PENTYL 2-FURYL KETONE \| Pentyl 2-furyl ketone \| FT-0612494 \| AI3-26556 \| 1-(furan-2-y
Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal
Product Description	2-Hexanoylfuran is a compound found in the essential oil of\|Eriobotrya japonica\|(loquat) leaves.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Aryl alkyl ketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones
Direct Parent	Aryl alkyl ketones
Alternative Parents	Heteroaromatic compounds Furans Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl alkyl ketone - Heteroaromatic compound - Furan - Oxacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.
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	488183529
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488183529
IUPAC Name	1-(furan-2-yl)hexan-1-one
INCHI	InChI=1S/C10H14O2/c1-2-3-4-6-9(11)10-7-5-8-12-10/h5,7-8H,2-4,6H2,1H3
InChIKey	YUAYWSBSIJVIBS-UHFFFAOYSA-N
Smiles	CCCCCC(=O)C1=CC=CO1
Isomeric SMILES	CCCCCC(=O)C1=CC=CO1
Molecular Weight	166.22
Reaxy-Rn	2956
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2956&ln=

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

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

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
D2326621	Certificate of Analysis	Apr 01, 2023	H339726
D2326606	Certificate of Analysis	Apr 01, 2023	H339726
D2326675	Certificate of Analysis	Apr 01, 2023	H339726
D2326689	Certificate of Analysis	Apr 01, 2023	H339726

Chemical and Physical Properties

Solubility	Difficult to mix.
Flash Point(°F)	225°F
Flash Point(°C)	107°
Boil Point(°C)	125-127°/15mm
Molecular Weight	166.220 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	166.099 Da
Monoisotopic Mass	166.099 Da
Topological Polar Surface Area	30.200 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	143.000
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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