Basic information
- CAS
45206-91-5- Standard SMILES
CCCCCCCCCC(=O)CCCCCC- InChIKey
XMIMKDVDMTZIIW-UHFFFAOYSA-N- Molecular formula
- C16H32O
- Average molar mass
- 240.42 g/mol
- Monoisotopic mass
- 240.24531564
Names & identifiers
- Preferred name
- 7-Hexadecanone
- IUPAC
- hexadecan-7-one
- English name
- 7-Hexadecanone
- Molecular formula
- C16H32O
- Molecular weight
- 240.42
Names & synonyms
7-Hexadecanone45206-91-5Hexadecan-7-oneHexylnonyl ketoneMFCD00027354Hexadecane-7-one7-?HexadecanoneEINECS 256-205-2NSC1585257-Hexadecanone,98+%SCHEMBL1604602SCHEMBL7842556
Show more names
CHEMBL3273573SCHEMBL10493778DTXSID60196433NSC 158525NSC-158525AS-92342SY334593DB-051277
Database identifiers
- CAS
45206-91-5- PubChem CID
- 98679
- DTXSID
DTXSID60196433- ChEMBL
CHEMBL3273573- EC Number
- 256-205-2
- Nikkaji
- J319.953C
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
- 40 · 40-41°C
- Boiling point
- 308.15 °C · 308.15°C (estimate)
- Density
- 0.8292 · 0.8292 (estimate)
- refractive index
- 1.444 · 1.4440 (estimate)
- storage temp.
- Store at room temperature
- Appearance
- White to light yellow Solid
- 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
Suppliers16 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [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]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
LAURENT+86-18100176782 · [email protected]
上海鑫凯化学科技有限公司021-58930698 15921516558 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [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]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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