Basic information
- CAS
6305-58-4- Standard SMILES
CCCCCC/C=C(/C)C(=O)OCC- InChIKey
OJAZWYSGUPIGHK-KHPPLWFESA-N- Molecular formula
- C12H22O2
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.16197994
Names & identifiers
- Preferred name
- Nsc41163
- IUPAC
- ethyl (Z)-2-methylnon-2-enoate
- English name
- ethyl (2E)-2-methylnon-2-enoate
- Molecular formula
- C12H22O2
- Molecular weight
- 198.30188
Names & synonyms
NSC41163DTXSID404179966305-58-4RefChem:854911DTXCID50368844Ethyl (2Z)-2-methylnon-2-enoateNSC-41163ethyl (2E)-2-methylnon-2-enoate
Database identifiers
- CAS
6305-58-4- PubChem CID
- 5355606
- DTXSID
DTXSID40417996- EC Number
- 661-863-2
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- Precautionary statements
- 273 · P273-P391-P501
Safety & regulation
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H410
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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