Basic information
- CAS
21078-87-5- Standard SMILES
CCCCCCCCCCCC(O)CCCC- InChIKey
HNDLTSNUZCYNRL-UHFFFAOYSA-N- Molecular formula
- C16H34O
- Average molar mass
- 242.44 g/mol
- Monoisotopic mass
- 242.2609657
Overview
Hexadecan-5-ol is a secondary fatty alcohol that is hexadecane substituted by a hydroxy group at position 5. It has a role as an algal metabolite. It is a secondary fatty alcohol and a hexadecanol.
Names & identifiers
- Preferred name
- 5-Hexadecanol
- IUPAC
- hexadecan-5-ol
- English name
- hexadecan-5-ol
- Molecular formula
- C16H34O
- Molecular weight
- 242.44
Names & synonyms
5-HexadecanolHexadecan-5-ol21078-87-5DTXSID201317583RefChem:1072948DTXCID401747390244-197-35-hydroxyhexadecaneNSC165773SCHEMBL378965SCHEMBL17386385SCHEMBL22554803
Show more names
CHEBI:197395EINECS 244-197-3AKOS024333808NSC 165773NSC-165773NS00050931
Database identifiers
- CAS
21078-87-5- PubChem CID
- 89430
- DTXSID
DTXSID201317583- ChEBI
CHEBI:197395- EC Number
- 244-197-3
- Nikkaji
- J225.392E
Properties
Computed structural properties
- XLogP
- 7
- 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
Physicochemical properties
- Melting point
- 36 °C · 36 °C
- Boiling point
- 315.27 °C · 315.27°C (estimate)
- Density
- 0.8323 · 0.8323 (estimate)
- refractive index
- 1.4278 · 1.4278 (estimate)
- pka
- 15.27 · 15.27±0.20(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
成都格里迈特医药技术有限公司17308078590; 15928855497 · [email protected]
Related reactions
2 records
Compound notes
Loading…