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1-Acetoxy-2-methoxy-4-[(E)-1-propenyl]benzene - >98.0%(GC), high purity , CAS No.5912-87-8

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1-Acetoxy-2-methoxy-4-[(E)-1-propenyl]benzene - >98.0%(GC), high purity , CAS No.5912-87-8

1 Citations

COA

Grade & Purity:

≥98%(GC)

Cas Number: 5912-87-8
Molecular Weight: 206.24
PubChem CID: 876160

In stock

Item Number

A405599

Grouped product items
SKU	Size	Availability	Price	Qty
A405599-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$47.90
A405599-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$412.90

Basic Description

Synonyms	Acetylisoeugenol \| Isoeugenyl acetate \| Isoeugenol acetate \| 93-29-8 \| Acetyl isoeugenol \| Acetisoeugenol \| 5912-87-8 \| Isoeugenol, acetate \| 1-Acetoxy-2-methoxy-4-(1-propenyl)benzene \| (E)-isoeugenyl acetate \| 2-Methoxy-4-propenylphenyl acetate \| trans-Isoeugenol acetate \| 4-Ac
Specifications & Purity	≥98%(GC)

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenol esters

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenol esters
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenol esters
Alternative Parents	Styrenes Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenol ester - Phenoxy compound - Anisole - Methoxybenzene - Styrene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organic oxygen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
External Descriptors	phenylpropanoid - acetate ester - monomethoxybenzene
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

Associated Targets(Human)

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

Discover Target: PTH1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)

Discover Target: PLK1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)

Discover Target: PIN1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	[2-methoxy-4-[(E)-prop-1-enyl]phenyl] acetate
INCHI	InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4-8H,1-3H3/b5-4+
InChIKey	IUSBVFZKQJGVEP-SNAWJCMRSA-N
Smiles	CC=CC1=CC(=C(C=C1)OC(=O)C)OC
Isomeric SMILES	C/C=C/C1=CC(=C(C=C1)OC(=O)C)OC
Molecular Weight	206.24
Reaxy-Rn	8139431
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8139431&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	Soluble in Methanol
Boil Point(°C)	283 °C
Melt Point(°C)	81 °C
Molecular Weight	206.240 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	206.094 Da
Monoisotopic Mass	206.094 Da
Topological Polar Surface Area	35.500 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	235.000
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

Citations of This Product

How to Cite Aladdin Scientific Products? Citations Search

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