Benzeneacetic acid, alpha-methyl-, ethyl ester
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Basic information
- CAS
2510-99-8- 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 propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 159
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
- Appearance
- Colorless to light yellow Liquid
- LogP
- 2.774 · 2.774 (est)
- EPA Substance Registry System
- Benzeneacetic acid, .alpha.-methyl-, ethyl ester (2510-99-8)
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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
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
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- Hazard statements
- H228
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
Upstream raw materials
Downstream products
Related reactions
41 records
Compound notes
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