Basic information
- CAS
143-02-2- Standard SMILES
CCCCCCCCCCCCCCCCOS(=O)(=O)O- InChIKey
LPTIRUACFKQDHZ-UHFFFAOYSA-N- Molecular formula
- C16H34O4S
- Average molar mass
- 322.5 g/mol
- Monoisotopic mass
- 322.21778074
Overview
RN given refers to parent cpd; structure
Names & identifiers
- Preferred name
- Hexadecyl sulfate
- IUPAC
- hexadecyl hydrogen sulfate
- English name
- hexadecyl hydrogen sulphate
- Molecular formula
- C16H34O4S
- Molecular weight
- 322.50376
Names & synonyms
Cetyl sulfate143-02-2hexadecyl sulfate588KRC8J32RefChem:575402205-579-5hexadecyl hydrogen sulfate1-Hexadecanol, hydrogen sulfateHexadecyl hydrogen sulphate1-Hexadecanol, 1-(hydrogen sulfate)N-HEXADECYL SULFATEhexadecylsulfat
Show more names
Sulfuric acid hexadecyl estersulfuric acid monohexadecyl esterSulfuric acid hydrogen hexadecyl ester
cetyl sulphateUNII-588KRC8J32palmityl sulfateEINECS 205-579-5C16-Alkyl sulfateHexyldecyl hydrogen sulfateSCHEMBL42397C16-AS
Database identifiers
- CAS
143-02-2- PubChem CID
- 8911
- DTXSID
DTXSID7047982- ChEMBL
CHEMBL1229222- UNII
- 588KRC8J32
- EC Number
- 205-579-5
- Nikkaji
- J140.474A
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 16
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 296
Experimental & physicochemical properties
SurfactantsSurfactant -> linear alkylbenzyl sulfonate (LAS)
Collision Cross Section181.3 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0042400]
Physicochemical properties
- Boiling point
- 431.1 °C · 431.1°C (rough estimate)
- Density
- 1.085 · 1.0850 (rough estimate)
- refractive index
- 1.522 · 1.5220 (estimate)
- FDA UNII
- 588 KRC8J32 · 588KRC8J32
- EPA Substance Registry System
- 1 · 1-Hexadecanol, hydrogen sulfate (143-02-2)
- 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.
Hazard information
Regulatory InformationChemical: 1-Hexadecanol, hydrogen sulfate
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Hexadecanol, 1-(hydrogen sulfate): INACTIVE
Upstream & downstream products
Downstream products
Suppliers1 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…