1,4,7,10,13,16,19,22-Octaoxacyclotetracosane
Basic information
- CAS
33089-37-1- Standard SMILES
C1COCCOCCOCCOCCOCCOCCOCOC1- InChIKey
WHLFCESGIBJNGL-UHFFFAOYSA-N- Molecular formula
- C16H32O8
- Average molar mass
- 352.42 g/mol
- Monoisotopic mass
- 352.20971797
Names & identifiers
- Preferred name
- 1,4,7,10,13,16,19,22-Octaoxacyclotetracosane
- IUPAC
- 1,3,6,9,12,15,18,21-octaoxacyclotetracosane
- English name
- 1,4,7,10,13,16,19,22-Octaoxacyclotetracosane
- Molecular formula
- C16H32O8
- Molecular weight
- 352.42
Names & synonyms
BRN 1686140EINECS 251-374-95-19-12-00734 (Beilstein Handbook Reference)RefChem:415801251-374-91,4,7,10,13,16,19,22-octaoxacyclotetracosane1,3,6,9,12,15,18,21-octaoxacyclotetracosaneDTXSID8095471424-Crown-824-8-ether24-CROWN 8-ETHER24-Crown 8-Ether >1,4,7,10,13,16,19,22-Octaoxacyclotetracosane
Show more names
1,4,7,10,13,16,19,22-Octaoxacyclotetracosane - [X94495]
Database identifiers
- CAS
33089-37-1- PubChem CID
- 118397
- DTXSID
DTXSID80954714
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Boiling point
- 497.6 · 497.6±40.0 °C(Predicted)
- Density
- 0.995 · 0.995±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- form
- powder to lump to clear liquid
- color
- White or Colorless to Yellow
- CAS DataBase Reference
- 33089 · 33089-37-1
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 320 · H320
- Precautionary statements
- 264 · P264-P305+P351+P338+P337+P313
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 36 · 36/37/39
- RTECS
- 1670000 · RH1670000
- HS Code
- 2932.99 · 2932.99.9090
- Toxicity
- 50 · rat,LD50,intraperitoneal,200mg/kg (200mg/kg),BEHAVIORAL: TREMORBEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD,Drug and Chemical Toxicology. Vol. 8, Pg. 451, 1985.
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
- rtecs
- RH1670000
- hs_code
- 2932.99.9090
- Toxicity
- rat,LD50,intraperitoneal,200mg/kg (200mg/kg),BEHAVIORAL: TREMORBEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD,Drug and Chemical Toxicology. Vol. 8, Pg. 451, 1985.
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 36/37/39
- Hazard statements
- H320
- Precautionary statements
- P264-P305+P351+P338+P337+P313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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