Benzo-18-crown 6-Ether
Basic information
- CAS
14098-24-9- Standard SMILES
c1ccc2c(c1)OCCOCCOCCOCCOCCO2- InChIKey
DSFHXKRFDFROER-UHFFFAOYSA-N- Molecular formula
- C16H24O6
- Average molar mass
- 312.36 g/mol
- Monoisotopic mass
- 312.15728848
Names & identifiers
- Preferred name
- Benzo-18-crown 6-Ether
- IUPAC
- 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-triene
- English name
- Benzo-18-crown-6
- Molecular formula
- C16H24O6
- Molecular weight
- 312.36
Names & synonyms
Benzo-18-crown-6Benzo-18-crown 6-Ether1,4,7,10,13,16-Benzohexaoxacyclooctadecin, 2,3,5,6,8,9,11,12,14,15-decahydro-RefChem:565212604-215-614098-24-9benzo-18-crown-6-etherMFCD000627412,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-trieneBenzo-18-crown-6, 98%2,3,5,6,8,9,11,12,14,15-Decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine2,3,5,6,8,9,11,12,14,15-Decahydrobenzo[b][1,4,7,10,13,16]hexaoxacyclooctadecine
Show more names
Benzo-18-crown-6,97%Benzo-18-crown-6 98%BENZO-18-CROWN-6 99+%1,2$l^{2}-azaboretidinebenzenebenzo-18--6-etherBenzo-18-crown-6, 97% 1GR
2,3-Benzo-1,4,7,10,13,16-hexaoxaoctadec-2-eneSY011463B1539CS-0155887B18C6-benzo crown etherbenzo-18Monobenzo-18-crown-62,3-Benzo-18-crown-6
Database identifiers
- CAS
14098-24-9- PubChem CID
- 585779
- DTXSID
DTXSID50878074- ChEMBL
CHEMBL493574- EC Number
- 604-215-6
- Nikkaji
- J151.277C
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 237
Experimental & physicochemical properties
LogP0.58
Physicochemical properties
- Melting point
- 42 · 42-45 °C (lit.)
- Boiling point
- 412.28 °C · 412.28°C (rough estimate)
- Density
- 1.1858 · 1.1858 (rough estimate)
- refractive index
- 1.4795 · 1.4795 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- very faint turbidity in Methanol
- form
- Liquid
- color
- Clear colorless
- Sensitive
- Hygroscopic
- BRN
- 1626123 · 1626123
- InChI
- InChI=1S/C16H24O6/c1-2-4-16-15(3-1)21-13-11-19-9-7-17-5-6-18-8-10-20-12-14-22-16/h1-4H,5-14H2
- InChIKey
- DSFHXKRFDFROER-UHFFFAOYSA-N
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information1,4,7,10,13,16-Benzohexaoxacyclooctadecin, 2,3,5,6,8,9,11,12,14,15-decahydro-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 3
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29329985
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 22-24/25-37/39-26
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
Chemistry & industry
Applications
UsesBenzo-18-crown-6-ether (B18C6) is an organic compound that can be used to prepare stable microcapsule responsive layers for further assembly into bilayer microcapsules. For example, 18-Crown-6-ether is used to prepare the response layer and is coated with a G-quadruplex cross-linked hydrogel layer stabilized by K+; when Mg2+ ions are present, 18-Crown-6-ether and K+ ions can respectively Dissociates and locks with the G-quadruplex cross-linked layer, thereby achieving switchable controlled release of the load[1].
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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