Ethyl 2-hydroxy-3-methylbutanoate
Basic information
- CAS
2441-06-7- Standard SMILES
CCOC(=O)C(O)C(C)C- InChIKey
IZRVEUZYBVGCFC-UHFFFAOYSA-N- Molecular formula
- C7H14O3
- Average molar mass
- 146.18 g/mol
- Monoisotopic mass
- 146.0942943
Overview
Ethyl 2-hydroxyisovalerate is a carboxylic ester.
Names & identifiers
- Preferred name
- Ethyl 2-hydroxy-3-methylbutanoate
- IUPAC
- ethyl 2-hydroxy-3-methylbutanoate
- English name
- 2-Hydroxy-3-methylbutanoic acid ethyl ester
- Molecular formula
- C7H14O3
- Molecular weight
- 146.18
Names & synonyms
Ethyl 2-hydroxy-3-methylbutanoate2441-06-7Butanoic acid, 2-hydroxy-3-methyl-, ethyl esterEthyl 2-hydroxyisovalerateButyric acid, 2-hydroxy-3-methyl-, ethyl esterethyl 2-hydroxy-3-methylbutyrateDTXSID80947282RefChem:138608DTXCID60940039801-128-7IZRVEUZYBVGCFC-UHFFFAOYSA-NETHYL (R)-2-HYDROXY-3-METHYLBUTANOATE
Show more names
2-Hydroxyisovaleric acid ethyl ester2-Hydroxy-3-methylbutyric acid ethyl ester2-Hydroxy-3-methylbutanoic acid ethyl ester
SCHEMBL442749SCHEMBL17434636CHEBI:141045NCA67418AKOS011496932SB45996DB-334110
Database identifiers
- CAS
2441-06-7- PubChem CID
- 520125
- DTXSID
DTXSID80947282- ChEBI
CHEBI:141045- EC Number
- 801-128-7
- Nikkaji
- J103.172D
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 109
Physicochemical properties
- Boiling point
- 112 · 112-114 °C(Press: 110 Torr)
- Density
- 1.002 · 1.002±0.06 g/cm3(Predicted)
- pka
- 13.07 · 13.07±0.20(Predicted)
- Odor
- 100 % · at 100.00 %. pineapple strawberry tea honey
- Odor Type
- fruity
- LogP
- 0.824 · 0.824 (est)
- Symbol(GHS)
- 7 · GHS07,GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226-H335-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS02
- Hazard statements
- H226-H335-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Additional notes
DefinitionChEBI: Ethyl 2-hydroxyisovalerate is a carboxylic ester.
Suppliers
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Related reactions
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Compound notes
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