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Methyl trans-2-Octenoate - 95%, high purity , CAS No.7367-81-9

COA

Grade & Purity:

≥95%

Cas Number: 7367-81-9
Molecular Weight: 156.23
Beilstein Registry Number: 2(4)1588
MDL number: MFCD00036620
PubChem CID: 5364532
PubChem SID: 488195445

In stock

Item Number

M158154

Grouped product items
SKU	Size	Availability	Price
M158154-5ml	5ml	3	$27.90
M158154-25ml	25ml	4	$73.90
M158154-100ml	100ml	2	$262.90

View related series

Fatty acyl (130)

Basic Description

Synonyms	EINECS 203-838-7 \| UNII-0TTP6YT2T3 \| BS-49141 \| DTXSID00223919 \| M2014 \| METHYL 2-OCTENOATE, TRANS- \| Acetato di cellosolve \| Methyloctenoat \| UNII-9EN9V40J78 \| METHYLTRANS-2-OCTENOATE \| 9EN9V40J78 \| Methyl trans-2-octenoate, 90+%, remainder mainly cis-is
Specifications & Purity	≥95%
Storage Temp	Argon charged
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	Methyl esters Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Fatty acid ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl 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

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	488195445
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488195445
IUPAC Name	methyl (E)-oct-2-enoate
INCHI	InChI=1S/C9H16O2/c1-3-4-5-6-7-8-9(10)11-2/h7-8H,3-6H2,1-2H3/b8-7+
InChIKey	CJBQSBZJDJHMLF-BQYQJAHWSA-N
Smiles	CCCCCC=CC(=O)OC
Isomeric SMILES	CCCCC/C=C/C(=O)OC
Molecular Weight	156.23
Beilstein	2(4)1588
Reaxy-Rn	1752545
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1752545&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.

3 results found

Lot Number	Certificate Type	Date	Item
B2316114	Certificate of Analysis	Dec 01, 2022	M158154
B2315218	Certificate of Analysis	Dec 01, 2022	M158154
B2315316	Certificate of Analysis	Dec 01, 2022	M158154

Chemical and Physical Properties

Sensitivity	Light Sensitive,Air Sensitive
Refractive Index	1.44
Flash Point(°C)	83°C(lit.)
Boil Point(°C)	91°C/9mmHg(lit.)
Molecular Weight	156.220 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	156.115 Da
Monoisotopic Mass	156.115 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	128.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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