Basic information
- CAS
126-92-1- Standard SMILES
CCCCC(CC)COS(=O)(=O)O- InChIKey
MHGOKSLTIUHUBF-UHFFFAOYSA-N- Molecular formula
- C8H18O4S
- Average molar mass
- 210.29 g/mol
- Monoisotopic mass
- 210.09258022
Overview
2-ethylhexyl sulfate is an alkyl sulfate that is the mono(2-ethylhexyl) ester of sulfuric acid. It has a role as a surfactant and a carcinogenic agent. It is functionally related to a 2-ethylhexan-1-ol. It is a conjugate acid of a 2-ethylhexyl sulfate(1-).
Names & identifiers
- Preferred name
- 2-Ethylhexyl hydrogen sulfate
- IUPAC
- 2-ethylhexyl hydrogen sulfate
- English name
- Sodium 2-ethylhexyl sulfate
- Molecular formula
- C8H17NaO4S
- Molecular weight
- 233.28
Names & synonyms
2-Ethylhexyl hydrogen sulfate2-Ethylhexyl sulfate72214-01-8Sulfuric acid, mono(2-ethylhexyl)esterBRN 1707369ETASULFATEETHASULFATESulfuric acid, mono(2-ethylhexyl) ester8NX2133F3JEMPICOL 0585AETASULFATE [WHO-DD]SURFARON A 6008
Show more names
TC-EHSNiaproofSODIUM ETHYLHEXYL SULFATEsodium 2-ethylhexyl sulphateArw-7Tc-ETSFL-1000sipexbostergimisttergemist
2-ETHYLHEXYL BISULFATEDTXSID7047988CHEBI:881173-01-00-01733 (Beilstein Handbook Reference)RefChem:471991DTXCID2027965615-733-7[(2-ethylhexyl)oxy]sulfonic acid
Database identifiers
- CAS
126-92-1、72214-01-8- PubChem CID
- 31364
- DTXSID
DTXSID7047988- ChEMBL
CHEMBL2111178
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 205
Experimental & physicochemical properties
Collision Cross Section150.5 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID1026033]
Physicochemical properties
- Melting point
- 148 · 148-149 °C
- Boiling point
- 100 °C · 100.00°C
- Density
- 1.12 g/mL · 1.12 g/mL at 20 °C (lit.)
- vapor pressure
- 1.2 Pa · 1.2Pa at 20℃
- Flash point
- Not applicable
- storage temp.
- Store at RT.
- solubility
- DMSO (Soluble), Water (Soluble)
- form
- liquid
- color
- Colorless to light yellow
- Odor
- Faint characteristic odor
- Water Solubility
- 10 g/100 · >=10 g/100 mL at 20 ºC
- BRN
- 5177087 · 5177087
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
This chemical does not meet GHS hazard criteria for 95.8% (23 of 24) of all reports.
Not Classified
Aggregated GHS information provided per 24 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Toxicology
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 1
- tsca
- TSCA listed
- Toxicity
- LD50 oral in rabbit: 3580mg/kg
- risk_code
- 36/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315-H319
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
UsesDetergent.
UsesSodium 2-Ethylhexyl Sulfate Hydrate (40% in Water) can be used for stable aqueous suspension formulations.
UsesSodium 2-ethylhexyl sulfate is an anionic surfactant that can be used:In suspension polymerization.In the analysis of phenolic compounds through microchip-CE with pulsed amperometric detection.As charge balancing anions in the synthesis of organo-layered double hydroxides (organo-LDHs).
General DescriptionClear, colorless, slightly viscous liquid.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
武汉科美沃化工有限公司+86-2785736489 +8618171418573 · [email protected]
武汉博莱特化工有限公司+86-027-85583407 +86-13554014698 · [email protected]
Related reactions
1 records
Compound notes
Loading…