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3-PHENYLPROPYL CINNAMATE - ≥97%, high purity , CAS No.122-68-9

COA

Grade & Purity:

≥97%

Cas Number: 122-68-9
Molecular Weight: 266.3
PubChem CID: 5320530

In stock

Item Number

P709647

Grouped product items
SKU	Size	Availability	Price
P709647-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$260.90
P709647-50g	50g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$814.90
P709647-250g	250g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,724.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Cinnamic acids and derivatives
    - Subclass Cinnamic acid esters

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Cinnamic acids and derivatives
Subclass	Cinnamic acid esters
Intermediate Tree Nodes	Not available
Direct Parent	Cinnamic acid esters
Alternative Parents	Styrenes Fatty acid esters Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Cinnamic acid ester - Styrene - Fatty acid ester - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Carbonyl group - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic 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

IUPAC Name	3-phenylpropyl (E)-3-phenylprop-2-enoate
INCHI	InChI=1S/C18H18O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-6,8-11,13-14H,7,12,15H2/b14-13+
InChIKey	LYRAHIUDQRJGGZ-BUHFOSPRSA-N
Smiles	C1=CC=C(C=C1)CCCOC(=O)C=CC2=CC=CC=C2
Isomeric SMILES	C1=CC=C(C=C1)CCCOC(=O)/C=C/C2=CC=CC=C2
PubChem CID	5320530
Molecular Weight	266.3

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	266.300 g/mol
XLogP3	4.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	266.131 Da
Monoisotopic Mass	266.131 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	297.000
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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3-PHENYLPROPYL CINNAMATE - ≥97%, high purity , CAS No.122-68-9

Basic Description