Completing data — refresh the page later to see the latest
Basic information
- CAS
14852-31-4- Standard SMILES
CCCCCCCCCCCCCCC(C)O- InChIKey
FVDRFBGMOWJEOR-UHFFFAOYSA-N- Molecular formula
- C16H34O
- Average molar mass
- 242.44 g/mol
- Monoisotopic mass
- 242.2609657
Names & identifiers
- Preferred name
- 2-Hexadecanol
- IUPAC
- hexadecan-2-ol
- English name
- 2-Hexadecanol
- Molecular formula
- C16H34O
- Molecular weight
- 242.44
Names & synonyms
2-HexadecanolHexadecan-2-olHexadecanol-2EINECS 238-917-5NSC 87605AI3-35278DTXSID80871235RefChem:87270DTXCID60818906238-917-5FVDRFBGMOWJEOR-UHFFFAOYSA-N14852-31-4
Show more names
2-Hexadecanol,97%2-HEXADECANOL 97%2-Hexadecanol,Methyl tetradecyl carbinol
MFCD00004553Methyl tetradecyl carbinolNSC876052-Hexadecanol, 99%SCHEMBL259176SCHEMBL336677CHEMBL446956SCHEMBL3620831
Database identifiers
- CAS
14852-31-4- PubChem CID
- 85779
- DTXSID
DTXSID80871235- ChEMBL
CHEMBL446956- ChEBI
CHEBI:185029- EC Number
- 238-917-5
- Nikkaji
- J108.571I
Properties
Computed structural propertiesFilling in
- XLogP
- 7.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 13
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 133
Experimental & physicochemical properties
Kovats Retention Index
1702
2295；2312
Physicochemical properties
- Melting point
- 43 · 43-46 °C (lit.)
- Boiling point
- 135 °C1 · 135 °C1 mm Hg(lit.)
- Density
- 0.8338 · 0.8338
- refractive index
- 1.4479 · 1.4479
- Flash point
- 230 °F · >230 °F
- pka
- 15.26 · 15.26±0.20(Predicted)
- BRN
- 1748421 · 1748421
- Henry's Law Constant
- 1.6 · 1.6×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
- InChI
- 1S/C16H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17/h16-17H,3-15H2,1-2H3
- InChIKey
- FVDRFBGMOWJEOR-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCCCCC(C)O
- LogP
- 6.797 · 6.797 (est)
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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- -
- hs_code
- 29051900
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Uses2-Hexadecanol is a volatile component and fatty alcohol identified in the petroleum ether extraction of leaves of Tecoma radicans.
Preparation methods
Preparation2-HEXADECANOL was originally obtained by the hydrolysis of cetyl alcohol. Industrially, it can be produced by the reduction of fats and oils, or by the reduction of hexadecyl chloride with sodium borohydride.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers27 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
江苏艾康生物医药研发有限公司
Related reactions
2 records
Compound notes
Loading…