Basic information
- CAS
142-98-3- Standard SMILES
CCCCCCCCCCOS(=O)(=O)O- InChIKey
CSMFSDCPJHNZRY-UHFFFAOYSA-N- Molecular formula
- C10H22O4S
- Average molar mass
- 238.35 g/mol
- Monoisotopic mass
- 238.12388035
Overview
Decyl hydrogen sulfate is an alkyl sulfate that is the sulfuric ester of decanol. It has a role as a kairomone and a Daphnia pulex metabolite. It is functionally related to a decan-1-ol. It is a conjugate acid of a decyl sulfate.
Names & identifiers
- Preferred name
- Decyl hydrogen sulfate
- IUPAC
- decyl hydrogen sulfate
- English name
- decyl hydrogen sulphate
- Molecular formula
- C10H22O4S
- Molecular weight
- 238.34
Names & synonyms
decyl hydrogen sulfate142-98-3Sulfuric acid, monodecyl ester3PLL13D5K4EINECS 205-576-9DTXSID8042428CHEBI:83121CHEBI:83020RefChem:585578DTXCID6022428DECYL SULFATEDecyl hydrogen sulphate
Show more names
DECYLSULPHATEsulfuric acid decyl esterLauryl Sulfate Impurity 30Sulfuric acid hydrogen decyl ester
UNII-3PLL13D5K4decyl sulfuric acidSCHEMBL185577CHEMBL1208321SCHEMBL18207385CSMFSDCPJHNZRY-UHFFFAOYSA-NDB-230168NS00007991
Database identifiers
- CAS
142-98-3- PubChem CID
- 8904
- DTXSID
DTXSID8042428- ChEMBL
CHEMBL1208321- ChEBI
CHEBI:83121- UNII
- 3PLL13D5K4
- EC Number
- 205-576-9
- Nikkaji
- J140.469E
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 218
Experimental & physicochemical properties
Collision Cross Section158.1 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID4036229]
Physicochemical properties
- Melting point
- 37.6 · 37.6-37.8 °C
- Density
- 1.09 · 1.090±0.06 g/cm3(Predicted)
- pka
- -3.28 · -3.28±0.18(Predicted)
- FDA UNII
- 3 PLL13D5K4 · 3PLL13D5K4
- EPA Substance Registry System
- Sulfuric acid, monodecyl ester (142-98-3)
- 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 InformationSulfuric acid, monodecyl ester: INACTIVE
Suppliers2 total
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Additional notes
DefinitionChEBI: Decyl hydrogen sulfate is an alkyl sulfate that is the sulfuric ester of decanol. It has a role as a Daphnia pulex metabolite and a kairomone. It is functionally related to a decan-1-ol. It is a conjugate acid of a decyl sulfate.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…