Basic information
- CAS
18787-64-9- Standard SMILES
CCCCCCCCCCCCCC(=O)CC- InChIKey
LTMXHUUHBSCKEK-UHFFFAOYSA-N- Molecular formula
- C16H32O
- Average molar mass
- 240.42 g/mol
- Monoisotopic mass
- 240.24531564
Overview
Hexadecan-3-one is a ketone.
Names & identifiers
- Preferred name
- 3-Hexadecanone
- IUPAC
- hexadecan-3-one
- English name
- 3-Hexadecanone
- Molecular formula
- C16H32O
- Molecular weight
- 240.42
Names & synonyms
3-Hexadecanonehexadecan-3-oneEthyl n-tridecyl ketoneNSC 158511EINECS 242-572-6DTXSID4066412RefChem:94023DTXCID7035933242-572-6LTMXHUUHBSCKEK-UHFFFAOYSA-N18787-64-9Ethyl tridecyl ketone
Show more names
HexadecanoneNISTC187876493-Hexadecanone>3-HEXADECANONE 97%
MFCD00048458NSC-158511Cetan-3-oneNSC158511U58JRT3EVM3-Hexadecanone, >=99%SCHEMBL966153SCHEMBL1898398
Database identifiers
- CAS
18787-64-9- PubChem CID
- 87789
- DTXSID
DTXSID4066412- ChEMBL
CHEMBL3273569- ChEBI
CHEBI:179365- UNII
- U58JRT3EVM
- EC Number
- 242-572-6
- Nikkaji
- J99.822B
Properties
Computed structural properties
- XLogP
- 6.7
- 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
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatic Ketones, Other
LipidsFatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]
SpringerMaterials PropertiesChemical shift
Physical DescriptionWhite crystalline solid; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 42 · 42-44°C
- Boiling point
- 140 °C/2mm · 140°C/2mm
- Density
- 0.8292 · 0.8292 (estimate)
- refractive index
- 1.444 · 1.4440 (estimate)
- Flash point
- 140 °C/2mm · 140°C/2mm
- form
- powder to crystal
- color
- White to Almost white
- BRN
- 1769865 · 1769865
- InChI
- 1S/C16H32O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)4-2/h3-15H2,1-2H3
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
Regulatory InformationChemical: 3-Hexadecanone
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2914.19.0000
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Hexadecanone: INACTIVE
Upstream & downstream products
Downstream products
Suppliers38 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
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]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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