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trans-2-Hexen-1-yl Propionate - >95.0%(GC), high purity , CAS No.53398-80-4

COA

Grade & Purity:

≥95%(GC)

Cas Number: 53398-80-4
Molecular Weight: 156.23
MDL number: MFCD00036545
PubChem CID: 5352463
PubChem SID: 488195382

In stock

Item Number

T161809

Grouped product items
SKU	Size	Availability	Price
T161809-1ml	1ml	4	$9.90
T161809-5ml	5ml	2	$34.90
T161809-25ml	25ml	1	$131.90

View related series

Carboxylate (915) Non heterocyclic block (8163)

Basic Description

Synonyms	EINECS 258-513-2 \| trans-2-Hexenyl propanoate \| CHEBI:87682 \| AI3-35969 \| trans-2-Hexenyl n-propionate \| (E)-2-Hexen-1-ol, propanoate \| 2-Hexenyl propionate, (2E)- \| 2-HEXEN-1-OL, PROPANOATE, (E)- \| NitroMist \| SCHEMBL855561 \| FEMA NO. 3932 \| MFCD00036545
Specifications & Purity	≥95%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Carboxylic acid derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Carboxylic acid derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Carboxylic acid esters
Alternative Parents	Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Carboxylic acid ester - Monocarboxylic acid or derivatives - 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 carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
External Descriptors	propanoate ester
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	488195382
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488195382
IUPAC Name	[(E)-hex-2-enyl] propanoate
INCHI	InChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h6-7H,3-5,8H2,1-2H3/b7-6+
InChIKey	LPWKTEHEFDVAQS-VOTSOKGWSA-N
Smiles	CCCC=CCOC(=O)CC
Isomeric SMILES	CCC/C=C/COC(=O)CC
RTECS	MP8645000
PubChem CID	5352463
Molecular Weight	156.23
Reaxy-Rn	4243006

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
B23241041	Certificate of Analysis	Sep 14, 2022	T161809
B23241038	Certificate of Analysis	Sep 14, 2022	T161809
B23241046	Certificate of Analysis	Sep 14, 2022	T161809
B23241047	Certificate of Analysis	Sep 14, 2022	T161809
B23241042	Certificate of Analysis	Sep 14, 2022	T161809
B23241056	Certificate of Analysis	Sep 14, 2022	T161809

Chemical and Physical Properties

Refractive Index	1.43
Flash Point(°F)	72°C(lit.)
Flash Point(°C)	72°C(lit.)
Boil Point(°C)	90°C/15mmHg(lit.)
Molecular Weight	156.220 g/mol
XLogP3	2.400
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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