7-Ethyl-2-methyl-4-undecanone
Basic information
- CAS
6976-00-7- Standard SMILES
CCCCC(CC)CCC(=O)CC(C)C- InChIKey
RLGPVWMQXJXBGR-UHFFFAOYSA-N- Molecular formula
- C14H28O
- Average molar mass
- 212.37 g/mol
- Monoisotopic mass
- 212.21401551
Names & identifiers
- Preferred name
- 7-Ethyl-2-methyl-4-undecanone
- IUPAC
- 7-ethyl-2-methylundecan-4-one
- English name
- NSC20571
- Molecular formula
- C14H28O
- Molecular weight
- 212.37
Names & synonyms
7-Ethyl-2-methyl-4-undecanone7-ethyl-2-methylundecan-4-one6976-00-74-Undecanone,7-ethyl-2-methyl-4-Undecanone, 7-ethyl-2-methyl-NSC20571Docusate sodium Impurity 14SCHEMBL3408361Tetradecane Related Compound 17DTXSID20281157RLGPVWMQXJXBGR-UHFFFAOYSA-N7-Ethyl-2-methyl-4-undecanone #
Show more names
NSC-20571AKOS0175480292-METHYL-7-ETHYL-4-UNDECANONE
Database identifiers
- CAS
6976-00-7- PubChem CID
- 228015
- DTXSID
DTXSID20281157- EC Number
- 685-409-8
- Nikkaji
- J47.239E
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 9
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Melting point
- 38.18 °C · 38.18°C (estimate)
- Boiling point
- 252.5 °C · 252.5°C
- Density
- 0.824 · 0.8240
- refractive index
- 1.437 · 1.4370
- Hazard statements
- 413 · H413
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- Hazard statements
- H413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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