2-Phenylethyl Propionate - ≥98% , CAS No.122-70-3

CAS: 122-70-3 Cat. No.: P160125 Fórmula: C11H14O2 Peso molecular: 178.23 Beilstein Registry Number: 6(3)1709 Número EC: 204-567-7 PubChem CID: 31225
Disponible para pedir
GRADE & PURITY ≥98%
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)
Storage
Room temperature
Shipped In
Normal
★
Size
Alemania (EU)
USA*
Price
Qty
25g
P160125-25g
—
2 Disponible

8,59€

12,93€
Guardar 4,34 € (33.56%)
100g
P160125-100g
—
1 Disponible

10,33€

15,53€
Guardar 5,21 € (33.52%)
250g
P160125-250g
—
1 Disponible

23,34€

35,49€
Guardar 12,15 € (34.23%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

Phenethyl propionate can be used as a flavoring agent and fragrance ingredient. It is reported to be found in commercial wines.

Specifications

Sinónimos
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)
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Pureza
≥98%
Nombres e identificadores
Pubchem Sid488183135
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488183135
Sonrisas canónicasCCC(=O)OCCC1=CC=CC=C1
IUPAC Name2-phenylethyl propanoate
InChIKeyHVGZQCSMLUDISR-UHFFFAOYSA-N
INCHI1S/C11H14O2/c1-2-11(12)13-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
Isómeros SMILES CCC(=O)OCCC1=CC=CC=C1
RTECS UF6488000
PubChem CID 31225
Peso molecular 178.23
Beilstein 6(3)1709
Reaxy-Rn 2097455

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClaseBenzene and substituted derivatives
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzene and substituted derivatives
Alternative Parents Carboxylic acid esters  Monocarboxylic acids and derivatives  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic 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
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
VDR Tclin Vitamin D receptor (26531 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Musca domestica (713 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
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 NumberCertificate TypeFechaArticulo
A2218534Certificate of AnalysisOct 29, 2025 P160125
A2218547Certificate of AnalysisOct 29, 2025 P160125
H2413272Certificate of AnalysisAug 02, 2024 P160125
H2413273Certificate of AnalysisAug 02, 2024 P160125
H2413274Certificate of AnalysisAug 02, 2024 P160125
G2416605Certificate of AnalysisApr 28, 2024 P160125
G2416606Certificate of AnalysisApr 28, 2024 P160125
J1928045Certificate of AnalysisAug 04, 2023 P160125
A2218545Certificate of AnalysisDec 29, 2021 P160125
Propiedades químicas y físicas
Índice de refracción1.4920 to 1.4960
Punto de inflamación (°F)223°F
Punto de inflamación (°C)106℃
Punto de ebullición (°C)244°C
Peso molecular178.230 g/mol
XLogP32.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass178.099 Da
Monoisotopic Mass178.099 Da
Topological Polar Surface Area26.300 Ų
Heavy Atom Count13
Formal Charge0
Complexity148.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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