Basic information
- CAS
41903-81-5- Standard SMILES
CCCCCCCCCCCC(=O)CCCC- InChIKey
GASJOQPNNSMIFF-UHFFFAOYSA-N- Molecular formula
- C16H32O
- Average molar mass
- 240.42 g/mol
- Monoisotopic mass
- 240.24531564
Names & identifiers
- Preferred name
- 5-Hexadecanone
- IUPAC
- hexadecan-5-one
- English name
- 5-Hexadecanone
- Molecular formula
- C16H32O
- Molecular weight
- 240.42
Names & synonyms
5-HexadecanoneHexadecan-5-one41903-81-5n-Butyl n-undecyl ketoneEINECS 255-583-6NSC1585315-Hexadecanone, AldrichCPRSCHEMBL3397128CHEMBL3273571DTXSID40194674NSC 158531NSC-158531
Show more names
5-Hexadecanone,99%
CS-0452403NS00056676
Database identifiers
- CAS
41903-81-5- PubChem CID
- 98680
- DTXSID
DTXSID40194674- ChEMBL
CHEMBL3273571- EC Number
- 255-583-6
- Nikkaji
- J278.290A
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
- 36 · 36-37°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
Suppliers9 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
BOC Sciences[email protected]
大连锐盈科技有限公司0411-86907150 15940963210 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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