Basic information
- CAS
29304-40-3- Standard SMILES
CCCC(=O)C(C)C(=O)OCC- InChIKey
ZHDUQUQKEAZVPG-UHFFFAOYSA-N- Molecular formula
- C9H16O3
- Average molar mass
- 172.22 g/mol
- Monoisotopic mass
- 172.10994437
Names & identifiers
- Preferred name
- Ethyl 2-methyl-3-oxohexanoate
- IUPAC
- ethyl 2-methyl-3-oxohexanoate
- English name
- 2-Methyl-3-oxo-hexanoic acid ethyl ester
- Molecular formula
- C9H16O3
- Molecular weight
- 172.22
Names & synonyms
ETHYL 2-METHYL-3-OXOHEXANOATE29304-40-3DTXSID90951875RefChem:594465DTXCID101379982842-567-4Hexanoic acid, 2-methyl-3-oxo-, ethyl ester2-METHYL-3-OXO-HEXANOICACIDETHYLESTERMFCD000680902-METHYL-3-OXO-HEXANOIC ACID ETHYL ESTERSCHEMBL4939835ethyl 2-methyl-3-oxo-hexanoate
Show more names
Ethyl 2-methyl-3-oxohexanoate #ZHDUQUQKEAZVPG-UHFFFAOYSA-NEBA30440AKOS006274886CS-0232774EN300-128625Z1198149929
Database identifiers
- CAS
29304-40-3- PubChem CID
- 34537
- DTXSID
DTXSID90951875- EC Number
- 842-567-4
- Nikkaji
- J102.413B
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…