Ethyl 2-(2,4-dimethylphenoxy)-2-methylpropanoate
Basic information
- CAS
102416-46-6- Standard SMILES
CCOC(=O)C(C)(C)Oc1ccc(C)cc1C- InChIKey
KYUKOTCUMHMNDL-UHFFFAOYSA-N- Molecular formula
- C14H20O3
- Average molar mass
- 236.31 g/mol
- Monoisotopic mass
- 236.1412445
Names & identifiers
- Preferred name
- Ethyl 2-(2,4-dimethylphenoxy)-2-methylpropanoate
- IUPAC
- ethyl 2-(2,4-dimethylphenoxy)-2-methylpropanoate
- English name
- Propanoic acid, 2-(2,4-dimethylphenoxy)-2-methyl-, ethyl ester
- Molecular formula
- C14H20O3
- Molecular weight
- 236.31
Names & synonyms
Ethyl 2-(2,4-dimethylphenoxy)-2-methylpropanoate102416-46-6DTXSID901237782ethyl 2-(2,4-dimethylphenoxy)-2-methyl-propanoatePropanoic acid, 2-(2,4-dimethylphenoxy)-2-methyl-, ethyl ester
Database identifiers
- CAS
102416-46-6- PubChem CID
- 85531013
- DTXSID
DTXSID901237782
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Boiling point
- 308.5 · 308.5±27.0 °C(Predicted)
- Density
- 1.018 · 1.018±0.06 g/cm3(Predicted)
- form
- solid
- InChI
- 1S/C14H20O3/c1-6-16-13(15)14(4,5)17-12-8-7-10(2)9-11(12)3/h7-9H,6H2,1-5H3
- InChIKey
- KYUKOTCUMHMNDL-UHFFFAOYSA-N
- SMILES
- CCOC(C(C)(OC(C=CC(C)=C1)=C1C)C)=O
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 319 · H319-H410
- Precautionary statements
- 273 · P273-P305+P351+P338
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 1 Aquatic · Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319-H410
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2
- Precautionary statements
- P273-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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