Basic information
- CAS
57661-23-1- Standard SMILES
CCCCCCCCCCC(=O)CCCCC- InChIKey
CIAHHJXQZXLMPN-UHFFFAOYSA-N- Molecular formula
- C16H32O
- Average molar mass
- 240.42 g/mol
- Monoisotopic mass
- 240.24531564
Names & identifiers
- Preferred name
- 6-Hexadecanone
- IUPAC
- hexadecan-6-one
- English name
- 6-HEXADECANONE
- Molecular formula
- C16H32O
- Molecular weight
- 240.42
Names & synonyms
6-HexadecanoneHexadecan-6-one57661-23-1EINECS 260-885-6NSC158532SCHEMBL1784579SCHEMBL4558500CHEMBL3273572SCHEMBL28714975DTXSID60206364NSC 158532NSC-158532
Show more names
6-Hexadecanone,97%n-Amyl-n-decyl ketone
NS000539006-HEXADECANONE;hexadecan-6-one;n-Amyl-n-decyl ketone;6-Hexadecanone,97%
Database identifiers
- CAS
57661-23-1- PubChem CID
- 93752
- DTXSID
DTXSID60206364- ChEMBL
CHEMBL3273572- EC Number
- 260-885-6
- Nikkaji
- J296.758H
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 13
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Melting point
- 35 · 35-36°C
- Boiling point
- 308.15 °C · 308.15°C (estimate)
- Density
- 0.8292 · 0.8292 (estimate)
- refractive index
- 1.444 · 1.4440 (estimate)
- LogP
- 6.75 · 6.750 (est)
- Safety Statements
- 22 · 22-24/25
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- safety_code
- 22-24/25
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers5 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海鑫凯化学科技有限公司021-58930698 15921516558 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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