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Triethanolamine Lauryl Sulfate
CAS: 139-96-8 | C18H41NO7S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
139-96-8
Molecular Formula:
C18H41NO7S
Molecular Weight:
415.59300000000025 g/mol
Names and Synonyms:
Triethanolamine Lauryl Sulfate
Tipole NLT 42
Alscoap LS 40T
Ultrafax TLS
Taipol NLT 42
Sandet LTD
Sinolin TP
Alscoap NM 40T
Nikkol TEALS 42
Norfox TLS
Persoft SFT
Carsonol TLS
Nissan Persoft SFT
Alscoap TL 40T
DeSulf TLS 40
Sapanol AT
Genapol LRT 40
Empicol TL 40T
Emal TD-L
Conco Sulfate TL
Cycloryl WAT
Perlankrol ATL 40
TEA dodecyl sulfate
Nikkol TEALS
Triethanolammonium dodecyl sulfate
Sulfetal KT 400
Sulfuric acid monolauryl ester triethanolamine salt
Emal TD
Sulfuric acid monododecyl ester triethanolamine salt
Lauryl sulfate ester triethanolamine salt
Sulfetal LT
Laurylsulfuric acid triethanolamine salt
Sipon LT 40
Triethanolamine monododecyl sulfate
Rewopol TLS 40
TEA-lauryl sulfate
Sterling WAT
Maprofix TLS 65
Richonol T
Texapon T 42
Texapon T 35
Tylorol LT 50
Steinapol TLS 40
Cycloryl TAWF
Melanol LP 20T
Elfan 4240T
Akyposal TLS
Standapol T
Triethanolamine dodecyl sulfate
Triethanolammonium lauryl sulfate
Maprofix TLS 500
Texapon TH
Sipon LT 6
Triethanolamine lauryl sulfate
Stepanol WAT
Sipon LT
Propaste T
Maprofix TLS
Lauryl sulfate triethanolamine salt
Emal T
Drene
Dodecyl sulfate triethanolamine salt
Ethanol, 2,2′,2′′-nitrilotris-, dodecyl sulfate (salt)
Ethanol, 2,2′,2′′-nitrilotri-, dodecyl sulfate (salt)
Dodecyl sulfate, C12H25SO4H, compd. with 2,2′,2′′-nitrilotriethanol
Sulfuric acid, monododecyl ester, compd. with 2,2′,2′′-nitrilotriethanol (1:1)
Sulfuric acid, monododecyl ester, compd. with 2,2′,2′′-nitrilotris[ethanol] (1:1)
Identifiers:
SMILES:
CCCCCCCCCCCCOS(=O)(=O)O.OCCN(CCO)CCO
InChI:
InChI=1S/C12H26O4S.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;8-4-1-7(2-5-9)3-6-10/h2-12H2,1H3,(H,13,14,15);8-10H,1-6H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 415.59 g/mol | Legacy Database |
| cas-canonical-smile | O=S(=O)(O)OCCCCCCCCCCCC.OCCN(CCO)CCO None | Legacy Database |
| cas-inchi | InChI=1S/C12H26O4S.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;8-4-1-7(2-5-9)3-6-10/h2-12H2,1H3,(H,13,14,15);8-10H,1-6H2 None | Legacy Database |
| cas-inchi-key | InChIKey=JZKFHQMONDVVNF-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Triethanolamine lauryl sulfate None | Legacy Database |
| LogP | 1.9920000000000004 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 415.59300000000025 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 415.260373652 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 27 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 7 count | RDKit |
| Hydrogen Bond Donors | 4 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 18 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 127.53000000000002 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 107.04200000000007 | RDKit |
