Basic Description

Synonyms	AKOS015841178 \| cis-3-Hexenyl 2-methylbutanoate, FCC, FG \| UNII-TRW23XOS20 \| 3-Hexenyl 2-methylbutanoate \| 3-Hexenyl 2-methylbutyrate, (3Z)- \| EINECS 204-130-0 \| 2-Methyl-3-hexenyl ester(Z)-Butanoic acid \| 3-HEXENYL 2-METHYLBUTYRATE, CIS- \| N181NM2UXZ \| B
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Fatty acid esters

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acid esters
Intermediate Tree Nodes	Not available
Direct Parent	Fatty acid esters
Alternative Parents	Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Fatty acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
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	488195452
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488195452
IUPAC Name	[(Z)-hex-3-enyl] 2-methylbutanoate
INCHI	InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6-
InChIKey	JKKGTSUICJWEKB-SREVYHEPSA-N
Smiles	CCC=CCCOC(=O)C(C)CC
Isomeric SMILES	CC/C=C\CCOC(=O)C(C)CC
WGK Germany	2
UN Number	3077
Molecular Weight	184.28
Reaxy-Rn	7986917
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7986917&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.

8 results found

Lot Number	Certificate Type	Date	Item
L2420535	Certificate of Analysis	Jul 15, 2024	M117698
L2420835	Certificate of Analysis	Jul 15, 2024	M117698
C2324945	Certificate of Analysis	Mar 11, 2023	M117698
C2324944	Certificate of Analysis	Mar 11, 2023	M117698
C2324947	Certificate of Analysis	Mar 11, 2023	M117698
C2324921	Certificate of Analysis	Mar 11, 2023	M117698
C23241130	Certificate of Analysis	Mar 11, 2023	M117698
G1403042	Certificate of Analysis	Apr 27, 2022	M117698

Chemical and Physical Properties

Refractive Index	1.432
Flash Point(°F)	83 °C
Flash Point(°C)	83°C
Molecular Weight	184.270 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	184.146 Da
Monoisotopic Mass	184.146 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	161.000
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Die Hu, Wei Chen, Aiqing Miao, Xiaoyan Qiao, Hongling Xia, Chengying Ma. (2023) Analysis of volatile emission of tea (Camellia sinensis) shoots in response to temperature-dependent postharvest treatments. EUROPEAN JOURNAL OF AGRONOMY, 146 (126821).
2. Jilai Cui, Xiaoting Zhai, Danyang Guo, Wenkai Du, Ting Gao, Jie Zhou, Wilfried G. Schwab, Chuankui Song. (2022) Characterization of Key Odorants in Xinyang Maojian Green Tea and Their Changes During the Manufacturing Process. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 70 (1): (279–288).

Solution Calculators

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SKU	Size	Availability	Price
M117698-5ml	5ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
M117698-25ml	25ml	2	$23.90
M117698-100ml	100ml	1	$85.90
M117698-500ml	500ml	1	$384.90

2-Methylbutyric Acid cis-3-Hexen-1-yl Ester - 98%, high purity , CAS No.53398-85-9