Basic information
- CAS
61894-66-4- Standard SMILES
CCCCCCCCCCOCCOS(=O)(=O)O- InChIKey
BHVSIIXCNXDUOJ-UHFFFAOYSA-N- Molecular formula
- C12H26O5S
- Average molar mass
- 282.4 g/mol
- Monoisotopic mass
- 282.1500951
Names & identifiers
- Preferred name
- Ethanol, 2-(decyloxy)-, 1-(hydrogen sulfate)
- IUPAC
- 2-decoxyethyl hydrogen sulfate
- English name
- Sulfuric acid hydrogen 2-(decyloxy)ethyl ester
- Molecular formula
- C12H26O5S
- Molecular weight
- 282.4
Names & synonyms
61894-66-42-Decyloxyethyl hydrogen sulfateEthanol, 2-(decyloxy)-, hydrogen sulfateEthanol, 2-(decyloxy)-, 1-(hydrogen sulfate)RefChem:5922122-(decyloxy)ethyl hydrogen sulfateSulfuric acid hydrogen 2-(decyloxy)ethyl esterDTXSID2069523SCHEMBL10694156BHVSIIXCNXDUOJ-UHFFFAOYSA-NDB-221877NS00095010
Database identifiers
- CAS
61894-66-4- PubChem CID
- 112772
- DTXSID
DTXSID2069523- Nikkaji
- J429.436J
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Density
- 1.095 · 1.095±0.06 g/cm3(Predicted)
- pka
- -3.55 · -3.55±0.18(Predicted)
- EPA Substance Registry System
- 2 · Ethanol, 2-(decyloxy)-, hydrogen sulfate (61894-66-4)
- 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 InformationEthanol, 2-(decyloxy)-, 1-(hydrogen sulfate): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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