2-Ethoxyethyl isobutyrate
Basic information
- CAS
54396-97-3- Standard SMILES
CCOCCOC(=O)C(C)C- InChIKey
ANSOCBLHUNAGRK-UHFFFAOYSA-N- Molecular formula
- C8H16O3
- Average molar mass
- 160.21 g/mol
- Monoisotopic mass
- 160.10994437
Names & identifiers
- Preferred name
- 2-Ethoxyethyl isobutyrate
- IUPAC
- 2-ethoxyethyl 2-methylpropanoate
- English name
- Isobutyric acid 2-ethoxyethyl ester
- Molecular formula
- C8H16O3
- Molecular weight
- 160.21
Names & synonyms
2-Ethoxyethyl isobutyrate54396-97-3EINECS 259-146-0Propanoic acid, 2-methyl-, 2-ethoxyethyl esterAI3-21633DTXSID9068952RefChem:471668DTXCID7041700259-146-0Isobutyric Acid 2-Ethoxyethyl Ester2-Ethoxyethyl 2-methylpropanoateMFCD00009250
Show more names
2-EthoxyethylIsobutyrate>Isobutyric acid 2-ethoxyethyl ester2-methyl-propanoicaci2-ethoxyethylesterCellosolve Isobutyrate Isobutyric Acid 2-Ethoxyethyl Ester Ethylene Glycol Monoethyl Ether Isobutyrate
ISOBUTYRICACID2-ETHOXYETHYLESTERCellosolve IsobutyrateEthylene Glycol Monoethyl Ether IsobutyrateSCHEMBL4676247SCHEMBL4676252SCHEMBL10761885ANSOCBLHUNAGRK-UHFFFAOYSA-2-Ethoxyethyl 2-methylpropanoate #
Database identifiers
- CAS
54396-97-3- PubChem CID
- 108587
- DTXSID
DTXSID9068952- EC Number
- 259-146-0
- Nikkaji
- J150.175E
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- Boiling point
- 85 °C · 85 °C / 7mmHg
- Density
- 0.93 · 0.93
- refractive index
- 1.408 · 1.4080-1.4100
- Flash point
- 57 °C · 57 °C
- form
- clear liquid
- color
- Colorless to Almost colorless
- Specific Gravity
- 0.93 · 0.93
- LogP
- 1.33 · 1.330 (est)
- EPA Substance Registry System
- 2 · 2-Ethoxyethyl isobutyrate (54396-97-3)
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
- Precautionary statements
- 210 · P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
- RIDADR
- 1993 · 1993
- TSCA
- TSCA listed
- HS Code
- 2915.6 · 2915.60.5000
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (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
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- tsca
- TSCA listed
- ridadr
- 1993
- hs_code
- 2915.60.5000
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- hazard_class
- 3.2
- packing_group
- III
- Hazard statements
- H226
- Precautionary statements
- P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanoic acid, 2-methyl-, 2-ethoxyethyl ester: INACTIVE
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Compound notes
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