Basic information
- CAS
2555-49-9- Standard SMILES
CCOC(=O)COc1ccccc1- InChIKey
MGZFVSUXQXCEHM-UHFFFAOYSA-N- Molecular formula
- C10H12O3
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.07864424
Names & identifiers
- Preferred name
- Acetic acid, 2-phenoxy-, ethyl ester
- IUPAC
- ethyl 2-phenoxyacetate
- English name
- Ethyl phenoxyacetate
- Molecular formula
- C10H12O3
- Molecular weight
- 180.2
Names & synonyms
ETHYL PHENOXYACETATEethyl 2-phenoxyacetate2555-49-9Acetic acid, phenoxy-, ethyl esterEINECS 219-867-3DTXSID3062520Acetic acid, 2-phenoxy-, ethyl esterAI3-04110RefChem:552176DTXCID9037329219-867-3Phenoxyacetic Acid Ethyl Ester
Show more names
2-phenoxybutanoateEthylPhenoxyacetate>Ethylphenoxyacetate,98%ETHYL-(2-PHENOXYACETAT)Ethyl phenoxyacetate 98%phenoxy-aceticaciethylester
MFCD00026895SCHEMBL377638Phenoxy-acetic acid ethyl esterAS-57728SY017862Phenoxyacetic acid, ethyl esterFT-0626232FT-0626233
Database identifiers
- CAS
2555-49-9- PubChem CID
- 17365
- DTXSID
DTXSID3062520- EC Number
- 219-867-3
- Nikkaji
- J141.456I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 150
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
FragrancesFragrance Ingredient (Ethyl phenoxyacetate) -> IFRA transparency List
Physicochemical properties
- Boiling point
- 136 °C/19 · 136 °C/19 mmHg (lit.)
- Density
- 1.1 g/mL · 1.1 g/mL at 25 °C (lit.)
- refractive index
- 1.5045 · 1.5045-1.5065
- Flash point
- 110 °C · >110°C
- storage temp.
- Store at room temperature
- form
- Liquid
- Specific Gravity
- 1.1 · 1.100
- color
- Clear yellow
- Odor
- 100 % · at 100.00 %. green floral rose
- Odor Type
- floral
- Water Solubility
- immiscible
- BRN
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 8.1% (114 of 1402) of reports.
Warning
H319 (91.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 1402 reports by companies from 4 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Acetic acid, phenoxy-, ethyl ester
Other Safety InformationIMAP assessments - Acetic acid, phenoxy-, ethyl ester: Environment tier I assessment
Hazard Classes and CategoriesEye Irrit. 2 (91.8%)
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29189900
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- safety_code
- 24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H411-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing InformationAcetic acid, 2-phenoxy-, ethyl ester: ACTIVE
Applications
UsesThe ester is occasic nally used in flavor compositions, mainly imitation Honey, where it can help tone down the rather pungent notes of the conventional Methyl- and Ethyl phenylacetates. Higher esters of Phenoxyacetic acid are also used in Honey - for perfumes andflavors, and some of them find their way into Styrax-bases.
General DescriptionEthyl phenoxyacetate is an ester. It undergoes cyanide ion catalyzed aminolysis with ammonia to afford the corresponding amide.
Upstream & downstream products
Downstream products
Suppliers100 total
Related reactions
26 records
Compound notes
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