Basic Description

Synonyms	DS-4677 \| W-107106 \| Benzyl[(2S)-3-{[(1S)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]phosphinic acid \| 5-ethyl-4-hydroxy-2-methylfuran-3-one \| BIBO-3457 \| 5-Ethyl-4-hydroxy-2-methylfuran-3(2H)-one \| AGN-192024 \| EINECS 248-513-0 \| 5-ETHYL-4-HYDROX
Specifications & Purity	≥96%
Storage Temp	Argon charged
Shipped In	Normal
Product Description	5-Ethyl-4-hydroxy-2-methyl-3(2H)-furanone is one of the key volatile components of shoyu (soy sauce). It also occurs in roasted coffee and blackberries.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Dihydrofurans
    - Subclass Furanones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Dihydrofurans
Subclass	Furanones
Intermediate Tree Nodes	Not available
Direct Parent	Furanones
Alternative Parents	Vinylogous esters Cyclic ketones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	3-furanone - Vinylogous ester - Cyclic ketone - Ketone - Oxacycle - 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 furanones. These are compounds containing a furan ring bearing a ketone 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	488186760
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488186760
IUPAC Name	5-ethyl-4-hydroxy-2-methylfuran-3-one
INCHI	InChI=1S/C7H10O3/c1-3-5-7(9)6(8)4(2)10-5/h4,9H,3H2,1-2H3
InChIKey	QJYOEDXNPLUUAR-UHFFFAOYSA-N
Smiles	CCC1=C(C(=O)C(O1)C)O
Isomeric SMILES	CCC1=C(C(=O)C(O1)C)O
Molecular Weight	142.15
Reaxy-Rn	1617450
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1617450&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
K1905177	Certificate of Analysis	Aug 09, 2023	E169207
G2312112	Certificate of Analysis	Jul 21, 2023	E169207
L2216479	Certificate of Analysis	Dec 23, 2022	E169207
B2219129	Certificate of Analysis	Mar 11, 2022	E169207
G2312107	Certificate of Analysis	Mar 11, 2022	E169207
B2219128	Certificate of Analysis	Feb 28, 2022	E169207

Chemical and Physical Properties

Sensitivity	air sensitive
Refractive Index	1.512
Boil Point(°C)	248-249 °C
Molecular Weight	142.150 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	142.063 Da
Monoisotopic Mass	142.063 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	193.000
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

Documents & Articles

Allenes Building Blocks with ability to participate in multiple reactions

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Citations of This Product

How to Cite Aladdin Scientific Products?

1. Jingyao Li, Mengli Zhang, Xiaojuan Feng, Tingting Ding, Yue Zhao, Chengguo Sun, Shengli Zhou, Jing He, Chunling Wang. (2022) Characterization of fragrant compounds in different types of high-salt liquid-state fermentation soy sauce from China. LWT-FOOD SCIENCE AND TECHNOLOGY, 169 (113993).
2. Jia Huang, Haitao Chen, Zhimin Zhang, Yuping Liu, Binshan Liu, Baoguo Sun. (2021) Investigations on the Key Odorants Contributing to the Aroma of Children Soy Sauce by Molecular Sensory Science Approaches. Foods, 10 (7): (1492).

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SKU	Size	Availability	Price
E169207-1g	1g	3	$12.90
E169207-5g	5g	4	$48.90
E169207-25g	25g	3	$113.90
E169207-100g	100g	9	$214.90
E169207-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$966.90

5-Ethyl-4-hydroxy-2-methyl-3(2H)-furanone, mixture of isomers - 96%, high purity , CAS No.27538-09-6