Benzeneacetic acid, alpha-methyl-, ethyl ester

HCID 99643CAS 2510-99-8
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)C(C)c1ccccc1
InChIKey
UTUVIKZNQWNGIM-UHFFFAOYSA-N
Molecular formula
C11H14O2
Average molar mass
178.23 g/mol
Monoisotopic mass
178.09937969

Overview

Ethyl 2-phenylpropionate has been reported in Artemisia sericea with data available.

Names & identifiers

Preferred name
Benzeneacetic acid, alpha-methyl-, ethyl ester
IUPAC
ethyl 2-phenylpropanoate
English name
ETHYL 2-PHENYLPROPIONATE
Molecular formula
C11H14O2
Molecular weight
178.23

Names & synonyms

2510-99-8Ethyl 2-phenylpropionateEthyl hydratropateEthyl hydrotropateHydratropic acid, ethyl esterBenzeneacetic acid, alpha-methyl-, ethyl esterEINECS 219-727-1Benzeneacetic acid, .alpha.-methyl-, ethyl esterNSC 254979DTXSID30862976RefChem:117376DTXCID30811666
Show more names
RARECHEM AL BI 01234-(Chloromethyl)-αETHYL 2-PHENYLPROPIONATEEthyl α-methylbenzeneacetateHydratropic acid ethyl ester3-Ethyl-4-Methyl-2-Oxo-Pyrroline
219-727-1Ethyl 2-phenylpropanoate2-phenylpropionic acid ethyl esterMFCD00795471113085-12-4ethyl (2R)-2-phenylpropanoate42253-99-6(R)-2-PHENYLPROPIONATE ETHYL

Database identifiers

CAS
2510-99-8
PubChem CID
99643
DTXSID
DTXSID30862976
ChEMBL
CHEMBL165835
EC Number
219-727-1
Nikkaji
J184.051G

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
13

Experimental & physicochemical properties

Flavoring AgentsEU Flavoring substances

Physicochemical properties

Boiling point
122 °C · 122°C 20mm
Density
1.012 · 1.012±0.06 g/cm3(Predicted)
FLAVIS Number
9.364 · 09.364 | Ethyl 2-phenylpropionate
storage temp.
Sealed in dry,Room Temperature
solubility
Chloroform (Sparingly, Heated, Sonicated), Ethyl Acetate (Slightly)
form
White to Pale Yellow Semi-Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 3 items

Chemical: Benzeneacetic acid, .alpha.-methyl-, ethyl ester

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Benzeneacetic acid, .alpha.-methyl-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

tsca
TSCA listed
hs_code
2916399090
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS02
hazard_code
Xi

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzeneacetic acid, .alpha.-methyl-, ethyl ester: INACTIVE

Applications

Uses2-Phenylpropionic Acid Ethyl Ester (cas# 2510-99-8) is a compound useful in organic synthesis.

Upstream & downstream products

Suppliers50 total

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

41 records
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Linked notes

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