2-Propanol, 1-chloro-3-[2-chloro-1-[[(2-ethylpentyl)oxy]methyl]ethoxy]-
Basic information
- CAS
68938-76-1- Standard SMILES
CCCC(CC)COCC(CCl)OCC(O)CCl- InChIKey
HOROHTJLNQBOPL-UHFFFAOYSA-N- Molecular formula
- C13H26Cl2O3
- Average molar mass
- 301.2 g/mol
- Monoisotopic mass
- 300.1259001
Names & identifiers
- Preferred name
- 2-Propanol, 1-chloro-3-[2-chloro-1-[[(2-ethylpentyl)oxy]methyl]ethoxy]-
- IUPAC
- 1-chloro-3-[1-chloro-3-(2-ethylpentoxy)propan-2-yl]oxypropan-2-ol
- English name
- 1-Chloro-3-[2-chloro-1-[[(2-ethylpentyl)oxy]methyl]ethoxy]-2-propanol
- Molecular formula
- C13H26Cl2O3
- Molecular weight
- 301.25
Names & synonyms
1-Chloro-3-(1-chloromethyl-2-(2-ethylamyloxy)ethoxy)-2-propanolDTXSID708876032-Propanol, 1-chloro-3-[2-chloro-1-[[(2-ethylpentyl)oxy]methyl]ethoxy]-2-Propanol, 1-chloro-3-(2-chloro-1-(((2-ethylpentyl)oxy)methyl)ethoxy)-RefChem:478505DTXCID90102689268938-76-1HOROHTJLNQBOPL-UHFFFAOYSA-N1-CHLORO-3-({1-CHLORO-3-[(2-ETHYLPENTYL)OXY]PROPAN-2-YL}OXY)PROPAN-2-OL1-Chloro-3-[2-chloro-1-[[(2-ethylpentyl)oxy]methyl]ethoxy]-2-propanol
Database identifiers
- CAS
68938-76-1- PubChem CID
- 111465
- DTXSID
DTXSID70887603- Nikkaji
- J441.252D
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- Boiling point
- 394.6 · 394.6±37.0 °C(Predicted)
- Density
- 1.086 · 1.086±0.06 g/cm3(Predicted)
- pka
- 13.13 · 13.13±0.20(Predicted)
- EPA Substance Registry System
- 2 · 2-Propanol, 1-chloro-3-[2-chloro-1-[[(2-ethylpentyl)oxy]methyl]ethoxy]- (68938-76-1)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Propanol, 1-chloro-3-[2-chloro-1-[[(2-ethylpentyl)oxy]methyl]ethoxy]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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