Basic information
- CAS
67028-40-4- Standard SMILES
CCOC(=O)COc1ccc(C)cc1- InChIKey
UMNOIMVMNARUSB-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.09429431
Overview
Ethyl 4-methylphenoxyacetate is a monocarboxylic acid.
Names & identifiers
- Preferred name
- Ethyl (p-tolyloxy)acetate
- IUPAC
- ethyl 2-(4-methylphenoxy)acetate
- English name
- (4-METHYLPHENOXY) ACETIC ACID ETHYL ESTER
- Molecular formula
- C11H14O3
- Molecular weight
- 194.23
Names & synonyms
Show more names
Database identifiers
- CAS
67028-40-4- PubChem CID
- 4047281
- DTXSID
DTXSID8047428- ChEMBL
CHEMBL3186260- ChEBI
CHEBI:168029- UNII
- B0Y0J494AJ
- EC Number
- 266-554-2
- Nikkaji
- J59.925E
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 171
Experimental & physicochemical properties
Solubility
Insoluble in water and oil
Miscible at room temperature (in ethanol)
Boiling Point
120.00 to 121.00 °C. @ 1.00 mm Hg
120 - 121 °C
Physicochemical properties
- Boiling point
- 142 · 142-142°C 11mm
- Density
- 1.078 g/mL · 1.078 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.502(lit.)
- FEMA
- 3157 · 3157 | ETHYL (P-TOLYLOXY)ACETATE
- FLAVIS Number
- 9.797 · 09.797 | Ethyl (p-tolyloxy)acetate
- Flash point
- 113 °C · 113 °C
- storage temp.
- Store at room temperature
- form
- clear liquid
- color
- Colorless to Light yellow
- Odor
- 10 % · at 10.00 % in dipropylene glycol. fruity cherry hay powdery
- Odor Type
- fruity
- JECFA Number
- 1027 · 1027
- LogP
- 2.4 · 2.40
- Substances Added to Food (formerly EAFUS)
- ETHYL (P-TOLYLOXY)ACETATE
- FDA UNII
- 0 Y0J494AJ · B0Y0J494AJ
- EPA Substance Registry System
- Acetic acid, (4-methylphenoxy)-, ethyl ester (67028-40-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- TSCA
- TSCA listed
- HS Code
- 2918.99 · 2918.99.4700
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 98.9% (91 of 92) of all reports.
Not Classified
Aggregated GHS information provided per 92 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Acetic acid, (4-methylphenoxy)-, ethyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: Ethyl (4-methylphenoxy)acetate (EC: 266-554-2)
Acetic acid, (4-methylphenoxy)-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- tsca
- TSCA listed
- hs_code
- 2918.99.4700
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Pharmacology
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Suppliers49 total
Additional notes
DefinitionChEBI: Ethyl 4-methylphenoxyacetate is a monocarboxylic acid.
Related reactions
Compound notes
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