4,8-Dioxaundecane-1,11-diol
Basic information
- CAS
4161-32-4- Standard SMILES
OCCCOCCCOCCCO- InChIKey
SZXVPIADNSVGTK-UHFFFAOYSA-N- Molecular formula
- C9H20O4
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.13615911
Names & identifiers
- Preferred name
- 4,8-Dioxaundecane-1,11-diol
- IUPAC
- 3-[3-(3-hydroxypropoxy)propoxy]propan-1-ol
- English name
- 4,8-dioxaundecane-1,11-diol
- Molecular formula
- C9H20O4
- Molecular weight
- 192.2527
Names & synonyms
4,8-Dioxaundecane-1,11-diol4161-32-43-[3-(3-hydroxypropoxy)propoxy]propan-1-ol3,3'-(propane-1,3-diylbis(oxy))bis(propan-1-ol)HO-PPG3-OHEINECS 224-002-8MFCD000748331-Propanol, 3,3'-[1,3-propanediylbis(oxy)]bis-3,3'-[1,3-Propanediylbis(oxy)]bis(1-propanol)3,3'-[1,3-Propanediylbis(oxy)]bis[1-propanol]PN3TYR6Y45SCHEMBL268739
Show more names
OH-PPG3-OHOH-(C3H6O)2-OH4,8-Dioxaundecane-13,3’-[Propane-1,3-diylbis(oxy)]bis(1-propanol)
orb3176509SCHEMBL5175425DTXSID80194436SZXVPIADNSVGTK-UHFFFAOYSA-NEAA16132AKOS024284806BP-43032ST079735
Database identifiers
- CAS
4161-32-4- PubChem CID
- 77817
- DTXSID
DTXSID80194436- UNII
- PN3TYR6Y45
- EC Number
- 224-002-8
- Nikkaji
- J116.333G
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 77.7
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 273 · 273.0±0.0 °C(Predicted)
- Density
- 1.04 · 1.040±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature, keep dry and cool
- pka
- 14.58 · 14.58±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
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Compound notes
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