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4-Ethylphenyl Acetate - >96.0%(GC), high purity , CAS No.3245-23-6

COA

Grade & Purity:

≥96%(GC)

Cas Number: 3245-23-6
Molecular Weight: 164.2
MDL number: MFCD00026970
PubChem CID: 76731

In stock

Item Number

E156506

Grouped product items
SKU	Size	Availability	Price
E156506-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
E156506-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$31.90
E156506-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$122.90

View related series

Carboxylate (915) Non heterocyclic block (8163)

Basic Description

Synonyms	MFCD00026970 \| Phenol, 4-ethyl-, 1-acetate \| 4-Ethylphenyl acetate \| EINECS 221-818-6 \| InChI=1/C10H12O2/c1-3-9-4-6-10(7-5-9)12-8(2)11/h4-7H,3H2,1-2H3 \| AI3-20014 \| Acetic Acid 4-Ethylphenyl Ester \| p-Ethylphenyl acetate \| SY054467 \| UNII-3F8A85YM2Z \| Ace
Specifications & Purity	≥96%(GC)
Shipped In	Normal

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	Phenoxy compounds Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenol ester - Phenoxy compound - Monocyclic benzene moiety - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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	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

IUPAC Name	(4-ethylphenyl) acetate
INCHI	InChI=1S/C10H12O2/c1-3-9-4-6-10(7-5-9)12-8(2)11/h4-7H,3H2,1-2H3
InChIKey	ANMYMLIUCWWISO-UHFFFAOYSA-N
Smiles	CCC1=CC=C(C=C1)OC(=O)C
Isomeric SMILES	CCC1=CC=C(C=C1)OC(=O)C
Molecular Weight	164.2
Reaxy-Rn	1863612
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1863612&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.

2 results found

Lot Number	Certificate Type	Date	Item
A2509255	Certificate of Analysis	Apr 10, 2024	E156506
A2509256	Certificate of Analysis	Apr 10, 2024	E156506

Chemical and Physical Properties

Refractive Index	1.49
Flash Point(°C)	91 °C
Boil Point(°C)	226°C(lit.)
Molecular Weight	164.200 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	164.084 Da
Monoisotopic Mass	164.084 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	146.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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