Basic information
- CAS
5463-82-1- Standard SMILES
CCCCCCCC(=O)C(C)C- InChIKey
HJSFZKMTFMWEAQ-UHFFFAOYSA-N- Molecular formula
- C11H22O
- Average molar mass
- 170.29 g/mol
- Monoisotopic mass
- 170.16706532
Names & identifiers
- Preferred name
- 2-Methyldecan-3-one
- IUPAC
- 2-methyldecan-3-one
- English name
- 2-Methyl-3-decanone
- Molecular formula
- C11H22O
- Molecular weight
- 170.29
Names & synonyms
2-Methyldecan-3-oneEINECS 226-755-8DTXSID10203065NSC 21036NSC 21998RefChem:476040DTXCID10125556226-755-82-Methyl-3-decanone5463-82-13-Decanone, 2-methyl-NSC-21036
Show more names
ENC2267558
NSC-21998dimethylnonanonen-HEPTYL ISOPROPYL KETONENSC21998Heptyl isopropyl ketone2-methyl-decan-3-oneJBH3DWA3KKSCHEMBL827134
Database identifiers
- CAS
5463-82-1- PubChem CID
- 79588
- DTXSID
DTXSID10203065- UNII
- JBH3DWA3KK
- EC Number
- 226-755-8
- Nikkaji
- J210.529B
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Melting point
- 8.52 °C · 8.52°C (estimate)
- Boiling point
- 224.96 °C · 224.96°C (estimate)
- Density
- 0.8293 · 0.8293 (estimate)
- refractive index
- 1.4271 · 1.4271 (estimate)
- FDA UNII
- 3 DWA3KK · JBH3DWA3KK
- Symbol(GHS)
- 9 · GHS09
- Hazard statements
- 411 · H411
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
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 2 (100%)
Safety data
- Symbol(GHS)
- GHS09
- Hazard statements
- H411
Chemistry & industry
Suppliers1 total
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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