Basic information
- CAS
22026-12-6- Standard SMILES
CCCCCCCC(=O)CCCCC- InChIKey
KPVFRXPKBAAIIE-UHFFFAOYSA-N- Molecular formula
- C13H26O
- Average molar mass
- 198.34 g/mol
- Monoisotopic mass
- 198.19836545
Names & identifiers
- Preferred name
- 6-Tridecanone
- IUPAC
- tridecan-6-one
- English name
- 6-Tridecanone
- Molecular formula
- C13H26O
- Molecular weight
- 198.34
Names & synonyms
6-TridecanoneTridecan6onenHeptyl npentyl ketoneRefChem:544371Tridecan-6-one22026-12-6n-Amyl n-heptyl ketoneNSC-158514AI3-381848-TridecanoneNSC158514BX4NSZ89QX
Show more names
6-TRIDECANONE 98%n-Heptyl n-pentyl ketone
n-AMYL-n-HEPTYL KETONESCHEMBL1360968SCHEMBL3212902SCHEMBL3423594SCHEMBL5583898SCHEMBL7839285DTXSID60176492EINECS 244-728-9
Database identifiers
- CAS
22026-12-6- PubChem CID
- 89156
- DTXSID
DTXSID60176492- UNII
- BX4NSZ89QX
- EC Number
- 244-728-9
- Nikkaji
- J225.522G
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 10
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 129
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatic Ketones, Other
SpringerMaterials PropertiesDensity
Physical DescriptionColorless liquid or melt; mp = 20-22 deg C; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 27.5 °C · 27.5°C (estimate)
- Boiling point
- 260.68 °C · 260.68°C (estimate)
- Density
- 0.8275 · 0.8275 (estimate)
- refractive index
- 1.4356 · 1.4356 (estimate)
- LogP
- 5.053 · 5.053 (est)
- FDA UNII
- 4 NSZ89QX · BX4NSZ89QX
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummarySee 2-Undecanone.
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Chemistry & industry
Suppliers5 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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