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cis-3-Hexenyl tiglate - 97%, high purity , CAS No.67883-79-8

COA

Grade & Purity:

≥97%

Cas Number: 67883-79-8
Molecular Weight: 182.26
EC Number: 267-554-5
MDL number: MFCD00036528
PubChem CID: 15461361
PubChem SID: 488198897

In stock

Item Number

H115126

Grouped product items
SKU	Size	Availability	Price
H115126-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
H115126-5ml	5ml	5	$19.90
H115126-25ml	25ml	3	$29.90
H115126-100ml	100ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$99.90
H115126-500ml	500ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$459.90

View related series

Carboxylate (915) Non heterocyclic block (8163)

Basic Description

Synonyms	cis-3-Hexenyl tiglate \| NCGC00256838-01 \| sc-202351 \| EINECS 267-554-5 \| Ethyl4-aminobenzoatehydrochloride \| (Z)-3-HEXENYL (E)-2-METHYL 2-BUTENOATE [FHFI] \| 2-Methyl-(3Z)-3-hexen-1-yl ester(2E)-2-Butenoic acid \| 3-HEXENYL TIGLATE, CIS- \| LMFA07010808 \| (Z
Specifications & Purity	≥97%
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	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 - 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	488198897
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488198897
IUPAC Name	[(Z)-hex-3-enyl] (E)-2-methylbut-2-enoate
INCHI	InChI=1S/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5-7H,4,8-9H2,1-3H3/b7-6-,10-5+
InChIKey	JNWQKXUWZWKUAY-JQEGGOPCSA-N
Smiles	CCC=CCCOC(=O)C(=CC)C
Isomeric SMILES	CC/C=C\CCOC(=O)/C(=C/C)/C
WGK Germany	2
RTECS	EM9253500
Molecular Weight	182.26
Reaxy-Rn	33426272
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33426272&ln=

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
L2413152	Certificate of Analysis	Aug 03, 2021	H115126
G2320133	Certificate of Analysis	Aug 03, 2021	H115126
D2314529	Certificate of Analysis	Aug 03, 2021	H115126

Chemical and Physical Properties

Refractive Index	1.46
Flash Point(°F)	96 °C
Flash Point(°C)	96°C
Boil Point(°C)	105°C
Molecular Weight	182.260 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	182.131 Da
Monoisotopic Mass	182.131 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	202.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	2
Covalently-Bonded Unit Count	1

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