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Aromatic building blocks

3-Phenylpropionic acid, 2-phenylethyl ester

Also known as 2-Phenethyl-beta-phenylpropionate, phenethyl 3-phenylpropionate, 2-Phenylethyl 3-phenylpropanoate #

CAS 28049-10-7Formula C17H18O2Molar mass 254.33 g/mol
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3-Phenylpropionic acid, 2-phenylethyl ester chemical structure, C17H18O2, CAS 28049-10-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
28049-10-7
Formula
C17H18O2
Molar mass
254.33 g/mol
HS code
291639
Category
Aromatic building blocks

What is 3-Phenylpropionic acid, 2-phenylethyl ester?

Plain description, key identifiers and synonyms

3-Phenylpropionic acid, 2-phenylethyl ester is a chemical substance with the molecular formula C17H18O2 and a molar mass of 254.33 g/mol. Its CAS registry number is 28049-10-7. The IUPAC name is 2-phenylethyl 3-phenylpropanoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-phenylethyl 3-phenylpropanoate
CAS number
28049-10-7
Molecular formula
C17H18O2
InChIKey
QQNDZUIFXZRWFO-UHFFFAOYSA-N
InChI
InChI=1S/C17H18O2/c18-17(12-11-15-7-3-1-4-8-15)19-14-13-16-9-5-2-6-10-16/h1-10H,11-14H2
SMILES (canonical and isomeric)
C1=CC=C(C=C1)CCC(=O)OCCC2=CC=CC=C2

Synonyms

  • 2-Phenethyl-beta-phenylpropionate
  • phenethyl 3-phenylpropionate
  • 2-Phenylethyl 3-phenylpropanoate #
  • 2-Phenethyl-beta-phenylpropionate (28049-10-7)

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
254.33 g/molcalc.
Exact mass
254.1307 Dacalc.
LogP (octanol/water)
3.41calc.
Topological polar surface area
26.3 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
6calc.
Heavy atoms
19calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.24calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(CCc1ccccc1)OCCc1ccccc1

O=C(CCc1ccccc1)OCCc1ccccc1

2 rings, 19 atoms. This chemical is the scaffold itself.

5 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

3-Phenylpropionic acid, 2-phenylethyl ester suppliers

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3-Phenylpropionic acid, 2-phenylethyl ester price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code 3-Phenylpropionic acid, 2-phenylethyl ester is traded under.

HS 2916.39Indicative HS code

Aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and…

World exports in 2024
$706M
−6.8% vs 2023, imports $714M
2019 to 2024
Top exporters
  1. China49.0%
  2. India * partner reported16.2%
  3. Germany13.2%
Top importers
  1. India * partner reported14.5%
  2. United States12.2%
  3. Germany8.6%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for 3-Phenylpropionic acid, 2-phenylethyl ester is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 3-Phenylpropionic acid, 2-phenylethyl ester, based on the data on this page

What is 3-Phenylpropionic acid, 2-phenylethyl ester?

3-Phenylpropionic acid, 2-phenylethyl ester is a chemical substance with the molecular formula C17H18O2 and a molar mass of 254.33 g/mol. Its CAS registry number is 28049-10-7. The IUPAC name is 2-phenylethyl 3-phenylpropanoate.

What is the CAS number of 3-Phenylpropionic acid, 2-phenylethyl ester?

The CAS registry number of 3-Phenylpropionic acid, 2-phenylethyl ester is 28049-10-7.

What is the molecular formula and weight of 3-Phenylpropionic acid, 2-phenylethyl ester?

The molecular formula of 3-Phenylpropionic acid, 2-phenylethyl ester is C17H18O2 and its molar mass is 254.33 g/mol.

What is 3-Phenylpropionic acid, 2-phenylethyl ester used for?

Known uses and roles of 3-Phenylpropionic acid, 2-phenylethyl ester include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 3-Phenylpropionic acid, 2-phenylethyl ester hazardous?

No GHS hazard classification for 3-Phenylpropionic acid, 2-phenylethyl ester is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of 3-Phenylpropionic acid, 2-phenylethyl ester?

3-Phenylpropionic acid, 2-phenylethyl ester is usually classified under HS code 291639 (Aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 3-Phenylpropionic acid, 2-phenylethyl ester?

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What is the price of 3-Phenylpropionic acid, 2-phenylethyl ester?

Suppliers quote 3-Phenylpropionic acid, 2-phenylethyl ester on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle 3-Phenylpropionic acid, 2-phenylethyl ester

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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