1-Butanaminium, N,N-dibutyl-N-ethyl-, ethyl sulfate (1:1)
Basic information
- CAS
68052-51-7- Standard SMILES
CCCC[N+](CC)(CCCC)CCCC.CCOS(=O)(=O)[O-]- InChIKey
GELDODMEEMXBIV-UHFFFAOYSA-M- Molecular formula
- C16H37NO4S
- Average molar mass
- 339.5 g/mol
- Monoisotopic mass
- 339.24432984
Names & identifiers
- Preferred name
- 1-Butanaminium, N,N-dibutyl-N-ethyl-, ethyl sulfate (1:1)
- IUPAC
- ethyl sulfate;tributyl(ethyl)azanium
- English name
- tributylethylammonium ethyl sulphate
- Molecular formula
- C16H37NO4S
- Molecular weight
- 339.53428
Names & synonyms
Tributylethylammonium ethyl sulphate1-Butanaminium, N,N-dibutyl-N-ethyl-, ethyl sulfateEINECS 268-329-4DTXSID50710461-Butanaminium, N,N-dibutyl-N-ethyl-, ethyl sulfate (1:1)RefChem:75201DTXCID9045479268-329-468052-51-7n,n-dibutyl-n-ethylbutan-1-aminium ethyl sulfateethyl sulfate;tributyl(ethyl)azaniumTributylethylammonium ethylsulfate
Show more names
tributylethylammomium ethylestersulfateN-Ethyl-N,N,N-tributylammonium ethosulfate
MFCD037908833FGP2R7YCXSCHEMBL4368365GELDODMEEMXBIV-UHFFFAOYSA-Methyl sulfate;tributyl(ethyl)ammoniumAKOS030228003AS-76096NS00020335
Database identifiers
- CAS
68052-51-7- PubChem CID
- 106489
- DTXSID
DTXSID5071046- UNII
- 3FGP2R7YCX
- EC Number
- 268-329-4、951-953-2
Properties
Computed structural properties
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Density
- 1.04 · 1.04[at 20℃]
- vapor pressure
- 0.001 Pa · 0.001Pa at 25℃
- Water Solubility
- 1000 g/L · 1000g/L at 20℃
- LogP
- -1.7 · -1.7-0 at 20℃
- FDA UNII
- 3 FGP2R7YCX · 3FGP2R7YCX
- EPA Substance Registry System
- 1 · 1-Butanaminium, N,N-dibutyl-N-ethyl-, ethyl sulfate (68052-51-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Danger
- Hazard statements
- 412 · H412-H312-H314-H302-H318
- Precautionary statements
- 273 · P273-P501-P280-P302+P352-P312-P322-P363-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
- TSCA
- TSCA listed
- REACH Registrations
- Active
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 84% (105 of 125) of all reports.
Danger
H302 (14.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 125 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
Hazard information
Regulatory InformationREACH registered substance: Tributylethylammonium ethyl sulphate (EC: 268-329-4)
Hazard Classes and Categories
Acute Tox. 4 (14.4%)
Eye Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS07
- Hazard statements
- H412-H312-H314-H302-H318
- REACH Registrations
- Active
- Precautionary statements
- P273-P501-P280-P302+P352-P312-P322-P363-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Butanaminium, N,N-dibutyl-N-ethyl-, ethyl sulfate (1:1): ACTIVE
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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