3,6,9,12,15,18-Hexaoxaeicosane
Basic information
- CAS
23601-39-0- Standard SMILES
CCOCCOCCOCCOCCOCCOCC- InChIKey
IXFAFGFZFQHRLB-UHFFFAOYSA-N- Molecular formula
- C14H30O6
- Average molar mass
- 294.38 g/mol
- Monoisotopic mass
- 294.20423867
Overview
3,6,9,12,15,18-hexaoxaicosane is a polyether.
Names & identifiers
- Preferred name
- 3,6,9,12,15,18-Hexaoxaeicosane
- IUPAC
- 1-ethoxy-2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethane
- English name
- 3,6,9,12,15,18-hexaoxaicosane
- Molecular formula
- C14H30O6
- Molecular weight
- 294.38
Names & synonyms
3,6,9,12,15,18-Hexaoxaicosane3,6,9,12,15,18-Hexaoxaeicosane23601-39-0EINECS 245-774-2DTXSID1041473CHEBI:39576PENTAETHYLENE GLYCOL, DIETHYL ETHERETHANE, 1,2-BIS(2-(2-ETHOXYETHOXY)ETHOXY)-RefChem:91673DTXCID9021473Pentaethylene glycol, monobutyl ether1-ethoxy-2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethane
Show more names
PENTAETHYLENE GLYCOL DIETHYL ETHER
72DU7F2YXZCH3CH2O-PEG5-CH2CH3MFCD00068544UNII-72DU7F2YXZSCHEMBL987828SCHEMBL9126876IXFAFGFZFQHRLB-UHFFFAOYSA-NDB06867
Database identifiers
- CAS
23601-39-0- PubChem CID
- 90206
- DTXSID
DTXSID1041473- ChEBI
CHEBI:39576- UNII
- 72DU7F2YXZ
- EC Number
- 245-774-2
- Nikkaji
- J229.018I
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 17
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 150
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
SolventsSolvents -> Glycol Ethers (Glymes)
Physicochemical properties
- Boiling point
- 159 °C · 159 °C(Press: 11 Torr)
- Density
- 0.988 · 0.988±0.06 g/cm3(Predicted)
- FDA UNII
- 72 DU7F2YXZ · 72DU7F2YXZ
- EPA Substance Registry System
- 3 · 3,6,9,12,15,18-Hexaoxaeicosane (23601-39-0)
- TSCA
- TSCA listed
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 100% (59 of 59) of all reports.
Not Classified
Aggregated GHS information provided per 59 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
SP - indicates a substance that is identified in a proposed Significant New Use Rule.
3,6,9,12,15,18-Hexaoxaeicosane: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummarySee Monoglyme.
Hazard Classes and CategoriesNot Classified
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Household ProductsInformation on 5 consumer products that contain Pentaethylene glycol, monobutyl ether in the following categories is provided:
General Manufacturing Information3,6,9,12,15,18-Hexaoxaeicosane: ACTIVE
Additional notes
DefinitionChEBI: 3,6,9,12,15,18-hexaoxaicosane is a polyether.
Suppliers
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Related reactions
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Compound notes
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