Pentadecan-6-one
Basic information
- CAS
1001-45-2- Standard SMILES
CCCCCCCCCC(=O)CCCCC- InChIKey
YSHXMTRDMDYAEC-UHFFFAOYSA-N- Molecular formula
- C15H30O
- Average molar mass
- 226.4 g/mol
- Monoisotopic mass
- 226.22966558
Names & identifiers
- Preferred name
- Pentadecan-6-one
- IUPAC
- pentadecan-6-one
- English name
- pentadecan-6-one
- Molecular formula
- C15H30O
- Molecular weight
- 226.3981
Names & synonyms
6-PentadecanonePentadecan-6-one1001-45-2EINECS 213-681-6DTXSID80142937NSC 158526RefChem:859714DTXCID6065428213-681-6NSC158526SCHEMBL3411841SCHEMBL7180871
Show more names
Nonylpentyl ketone
SCHEMBL7844128AKOS024333809NSC-158526NS00043132
Database identifiers
- CAS
1001-45-2- PubChem CID
- 70476
- DTXSID
DTXSID80142937- EC Number
- 213-681-6
- Nikkaji
- J217.104J
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 12
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 152
Physicochemical properties
- Melting point
- 35.25 °C · 35.25°C (estimate)
- Boiling point
- 293.03 °C · 293.03°C (estimate)
- Density
- 0.8184 · 0.8184 (estimate)
- refractive index
- 1.4419 · 1.4419 (estimate)
- 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 38 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
Suppliers
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Related reactions
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Compound notes
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