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2-Phenylethyl Propionate - >98.0%, high purity , CAS No.122-70-3

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2-Phenylethyl Propionate - >98.0%, high purity , CAS No.122-70-3

COA

Grade & Purity:

≥98%

Cas Number: 122-70-3
Molecular Weight: 178.23
Beilstein Registry Number: 6(3)1709
MDL number: MFCD00027008
PubChem CID: 31225
PubChem SID: 488183135

In stock

Item Number

P160125

Grouped product items
SKU	Size	Availability	Price
P160125-25g	25g	2	$9.90
P160125-100g	100g	2	$16.90
P160125-250g	250g	1	$33.90

View related series

Carboxylic acid ester (65) Non heterocyclic block (8163)

Basic Description

Synonyms	HSDB 7428 \| P1823 \| 2-Phenylethanol, propanoate \| PROPANOIC ACID,3-(ETHYL,2-PHENYL) ESTER MFC11 H14 O2 \| NCGC00254876-01 \| Propionic Acid 2-Phenylethyl Ester \| SY049056 \| EINECS 204-567-7 \| UNII-9VFI60EUHW \| WLN: 2VO2R \| PROPANOIC ACID,3-(ETHYL,2-PHENYL)
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	Phenethyl propionate can be used as a flavoring agent and fragrance ingredient. It is reported to be found in commercial wines.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzene and substituted derivatives
Alternative Parents	Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	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 benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
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

Associated Targets(Human)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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

Associated Targets(non-human)

Musca domestica (713 Activities)

Explore this target

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

Pubchem Sid	488183135
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488183135
IUPAC Name	2-phenylethyl propanoate
INCHI	InChI=1S/C11H14O2/c1-2-11(12)13-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKey	HVGZQCSMLUDISR-UHFFFAOYSA-N
Smiles	CCC(=O)OCCC1=CC=CC=C1
Isomeric SMILES	CCC(=O)OCCC1=CC=CC=C1
RTECS	UF6488000
PubChem CID	31225
Molecular Weight	178.23
Beilstein	6(3)1709
Reaxy-Rn	2097455

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.

9 results found

Lot Number	Certificate Type	Date	Item
H2413273	Certificate of Analysis	Aug 02, 2024	P160125
H2413272	Certificate of Analysis	Aug 02, 2024	P160125
H2413274	Certificate of Analysis	Aug 02, 2024	P160125
G2416605	Certificate of Analysis	Apr 28, 2024	P160125
G2416606	Certificate of Analysis	Apr 28, 2024	P160125
J1928045	Certificate of Analysis	Aug 04, 2023	P160125
A2218547	Certificate of Analysis	Dec 29, 2021	P160125
A2218545	Certificate of Analysis	Dec 29, 2021	P160125
A2218534	Certificate of Analysis	Dec 29, 2021	P160125

Chemical and Physical Properties

Refractive Index	1.4920 to 1.4960
Flash Point(°F)	223°F
Flash Point(°C)	106℃
Boil Point(°C)	244°C
Molecular Weight	178.230 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	178.099 Da
Monoisotopic Mass	178.099 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	148.000
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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