Basic information
- CAS
6315-95-3- Standard SMILES
CCCCCCCCC(=O)C(C)C- InChIKey
GFUKRKCQQBTCNT-UHFFFAOYSA-N- Molecular formula
- C12H24O
- Average molar mass
- 184.32 g/mol
- Monoisotopic mass
- 184.18271539
Names & identifiers
- Preferred name
- 2-Methyl-3-undecanone
- IUPAC
- 2-methylundecan-3-one
- English name
- 2-methyl-3-undecanone
- Molecular formula
- C12H24O
- Molecular weight
- 184.31836
Names & synonyms
2-methyl-3-undecanoneRefChem:475427660-468-26315-95-32-methylundecan-3-oneIsopropyloctylketonNSC210412-methyl-undecan-3-oneSCHEMBL1296127SCHEMBL10882085DTXSID00281271GFUKRKCQQBTCNT-UHFFFAOYSA-N
Show more names
NSC-21041AKOS009390430
Database identifiers
- CAS
6315-95-3- PubChem CID
- 228271
- DTXSID
DTXSID00281271- EC Number
- 660-468-2
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 127
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -11.27 °C · -11.27°C (estimate)
- Boiling point
- 243.3 °C · 243.3°C (estimate)
- Density
- 0.8288 · 0.8288 (estimate)
- refractive index
- 1.4322 · 1.4322 (estimate)
- 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 38 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
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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