Henicosan-11-ol
Basic information
- CAS
3381-26-8- Standard SMILES
CCCCCCCCCCC(O)CCCCCCCCCC- InChIKey
BCNCKKYOXRHQGT-UHFFFAOYSA-N- Molecular formula
- C21H44O
- Average molar mass
- 312.6 g/mol
- Monoisotopic mass
- 312.33921602
Overview
Henicosan-11-ol is a secondary fatty alcohol that is henicosane substituted by a hydroxy group at position 11. It is a secondary fatty alcohol and a henicosanol.
Names & identifiers
- Preferred name
- Henicosan-11-ol
- IUPAC
- henicosan-11-ol
- English name
- 11-HENEICOSANOL
- Molecular formula
- C21H44O
- Molecular weight
- 312.57
Names & synonyms
11-HeneicosanolHenicosan-11-ol3381-26-8EINECS 222-184-3NSC 158433DTXSID90187470RefChem:783523DTXCID00109961222-184-311-HenicosanolDi-n-decyl carbinolMFCD00026547
Show more names
11-Hecosanol1-didecamonol11-Heneicosanol (9CI, ACI)
11-Henicosanol #NSC158433SCHEMBL631940STL386381AKOS025250458NSC-158433CS-0327724F71783
Database identifiers
- CAS
3381-26-8- PubChem CID
- 76913
- DTXSID
DTXSID90187470- ChEBI
CHEBI:197501- EC Number
- 222-184-3
- Nikkaji
- J205.467A
Properties
Computed structural properties
- XLogP
- 9.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 18
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 170
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 71 · 71-72°C
- Boiling point
- 370.3 · 370.3±10.0 °C(Predicted)
- Density
- 0.837 · 0.837±0.06 g/cm3(Predicted)
- pka
- 15.23 · 15.23±0.20(Predicted)
- form
- Solid
- color
- White to off-white
- BRN
- 1765841 · 1765841
- InChI
- InChI=1S/C21H44O/c1-3-5-7-9-11-13-15-17-19-21(22)20-18-16-14-12-10-8-6-4-2/h21-22H,3-20H2,1-2H3
- InChIKey
- BCNCKKYOXRHQGT-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCC(O)CCCCCCCCCC
- LogP
- 9.344 · 9.344 (est)
- CAS DataBase Reference
- 3381 · 3381-26-8
- Symbol(GHS)
- 7 · GHS07
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
This chemical does not meet GHS hazard criteria for 2.5% (1 of 40) of reports.
Warning
H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (97.5%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Applications
UsesHenicosan-11-ol (11-Heneicosanol) is an ester product.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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