3,6,9,12-Tetraoxaeicosan-1-ol
Basic information
- CAS
19327-39-0- Standard SMILES
CCCCCCCCOCCOCCOCCOCCO- InChIKey
FEOZZFHAVXYAMB-UHFFFAOYSA-N- Molecular formula
- C16H34O5
- Average molar mass
- 306.44 g/mol
- Monoisotopic mass
- 306.24062418
Overview
Tetraethylene glycol monooctyl ether is a hydroxypolyether. It is functionally related to a tetraethylene glycol.
Names & identifiers
- Preferred name
- 3,6,9,12-Tetraoxaeicosan-1-ol
- IUPAC
- 2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethanol
- English name
- Tetraethyleneglycol monooctyl ether
- Molecular formula
- C16H34O5
- Molecular weight
- 306.44
Names & synonyms
19327-39-0(Hydroxyethyloxy)tri(Ethyloxy)octane3,6,9,12-Tetraoxaeicosan-1-olDTXSID3066479RefChem:487175DTXCID0036057627-661-33,6,9,12-tetraoxaicosan-1-olTETRAETHYLENE GLYCOL MONOOCTYL ETHERTetraethylene glycol monoctyl ether2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethanoltetraethyleneglycol monooctyl ether
Show more names
C8E4OCTYLTETRAGLYCOLTEGmonooctyletherN-OCTYLTETRAOXYETHYLENEOctyltetraethyleneoxideOseltamivir Impurity 244N-OCTYL-TETRAOXYETHYLENE 94%n-Octyl-tetraoxyethylene,94%
MFCD00043033C8En-Octyl-tetraoxyethyleneKE5RN26WTESCHEMBL185557orb2280664orb2900688CHEMBL1231633
Database identifiers
- CAS
19327-39-0- PubChem CID
- 5414
- DTXSID
DTXSID3066479- ChEMBL
CHEMBL1231633- ChEBI
CHEBI:41323- UNII
- KE5RN26WTE
- EC Number
- 627-661-3
- Nikkaji
- J191.487A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 18
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 178
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
LogP2.68
Physicochemical properties
- Boiling point
- 170 °C · 170 °C (0.4 mmHg)
- Density
- 0.969 g/mL · 0.969 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.449
- Flash point
- 179 °C · 179 °C
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- pka
- 14.36 · 14.36±0.10(Predicted)
- form
- liquid
- color
- Colorless to light yellow
- BRN
- 1781226 · 1781226
- Stability
- Stable. Incompatible with oxidizing agents.
- InChI
- InChI=1S/C16H34O5/c1-2-3-4-5-6-7-9-18-11-13-20-15-16-21-14-12-19-10-8-17/h17H,2-16H2,1H3
- InChIKey
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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 3
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3,6,9,12-Tetraoxaeicosan-1-ol: ACTIVE
Applications
UsesTetraethylene glycol monooctyl ether is a membrane solubilizing compound.
Additional notes
DefinitionChEBI: Tetraethylene glycol monooctyl ether is a hydroxypolyether. It is functionally related to a tetraethylene glycol.
Related reactions
1 records
Compound notes
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