ethyl 2,3-anhydro-4,5-dideoxy-3-C-methylpentonate
Basic information
- CAS
3647-33-4- Standard SMILES
CCOC(=O)C1OC1(C)CC- InChIKey
JOZYMCPJDYLLDD-UHFFFAOYSA-N- Molecular formula
- C8H14O3
- Average molar mass
- 158.19 g/mol
- Monoisotopic mass
- 158.0942943
Names & identifiers
- Preferred name
- ethyl 2,3-anhydro-4,5-dideoxy-3-C-methylpentonate
- IUPAC
- ethyl 3-ethyl-3-methyloxirane-2-carboxylate
- English name
- ethyl 2,3-anhydro-4,5-dideoxy-3-C-methylpentonate
- Molecular formula
- C8H14O3
- Molecular weight
- 158.2
Names & synonyms
3647-33-4EINECS 222-880-7Ethyl 2,3-anhydro-4,5-dideoxy-3-C-methylpentonateNSC 12004RefChem:138514222-880-7ethyl 3-ethyl-3-methyloxirane-2-carboxylateethyl 2,3-epoxy-3-methylvalerateethyl 2,3-anhydro-4,5-dideoxy-3-methylpentonateNSC12004ETHYL 3-ETHYL-3-METHYL-OXIRANE-2-CARBOXYLATESCHEMBL2139493
Show more names
3-Methyl-3-ethyloxiranecarboxylic acid ethyl esterPentonic acid, 2,3-anhydro-4,5-dideoxy-3-C-methyl-, ethyl ester
ethyl2,3-epoxy-3-methylvalerateDTXSID90957791JOZYMCPJDYLLDD-UHFFFAOYSA-NNSC-12004AKOS014313749DS-001185NS00048418EN300-699563
Database identifiers
- CAS
3647-33-4- PubChem CID
- 95473
- DTXSID
DTXSID90957791- EC Number
- 222-880-7
- Nikkaji
- J205.567H
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · 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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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