Basic information
- CAS
31004-76-9- Standard SMILES
CCC1(C)CCOC1=O- InChIKey
DRTXQTMTWPIHLI-UHFFFAOYSA-N- Molecular formula
- C7H12O2
- Average molar mass
- 128.17 g/mol
- Monoisotopic mass
- 128.08372962
Overview
Alpha-EMGBL is a gamma-lactone.
Names & identifiers
- Preferred name
- 3-Ethyldihydro-3-methyl-2(3H)-furanone
- IUPAC
- 3-ethyl-3-methyloxolan-2-one
- English name
- 2-ethyl-2-methyl-4-butyrolactone
- Molecular formula
- C7H12O2
- Molecular weight
- 128.17
Names & synonyms
31004-76-92-Ethyl-2-methyl-4-butyrolactonealpha-Ethyl-alpha-methyl-gamma-butyrolactone2(3H)-Furanone, 3-ethyldihydro-3-methyl-RefChem:9113143-Ethyldihydro-3-methyl-2(3H)-furanonealpha-Emgbl3-ethyl-3-methyloxolan-2-one3-ethyl-3-methyldihydrofuran-2(3h)-oneAC1Q6HQESureCN132980SCHEMBL132980
Show more names
CHEMBL285171CHEBI:35057DTXSID009531282-Ethyl -2-methyl -4-butyrolactone3-ethyl-3-methyl-tetrahydrofuran-2-onePD181384DB-313978Q27116393
Database identifiers
- CAS
31004-76-9- PubChem CID
- 169232
- DTXSID
DTXSID00953128- ChEMBL
CHEMBL285171- ChEBI
CHEBI:35057- EC Number
- 169-775-1
- Nikkaji
- J345.134H
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, 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. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
济南尚博医药股份有限公司0531-61320525 15866703830 · [email protected]
Additional notes
DefinitionChEBI: Alpha-EMGBL is a gamma-lactone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…