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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 Mass:
415.59 g/mol
Names and Synonyms:
Triethanolamine Lauryl Sulfate
Sulfuric acid, monododecyl ester, compd. with 2,2′,2′′-nitrilotris[ethanol] (1:1)
Sulfuric acid, monododecyl ester, compd. with 2,2′,2′′-nitrilotriethanol (1:1)
Dodecyl sulfate, C12H25SO4H, compd. with 2,2′,2′′-nitrilotriethanol
Ethanol, 2,2′,2′′-nitrilotri-, dodecyl sulfate (salt)
Ethanol, 2,2′,2′′-nitrilotris-, dodecyl sulfate (salt)
Dodecyl sulfate triethanolamine salt
Drene
Emal T
Lauryl sulfate triethanolamine salt
Maprofix TLS
Propaste T
Sipon LT
Stepanol WAT
Triethanolamine lauryl sulfate
Sipon LT 6
Texapon TH
Maprofix TLS 500
Triethanolammonium lauryl sulfate
Triethanolamine dodecyl sulfate
Standapol T
Akyposal TLS
Elfan 4240T
Melanol LP 20T
Cycloryl TAWF
Steinapol TLS 40
Tylorol LT 50
Texapon T 35
Texapon T 42
Richonol T
Maprofix TLS 65
Sterling WAT
TEA-lauryl sulfate
Rewopol TLS 40
Triethanolamine monododecyl sulfate
Sipon LT 40
Laurylsulfuric acid triethanolamine salt
Sulfetal LT
Lauryl sulfate ester triethanolamine salt
Sulfuric acid monododecyl ester triethanolamine salt
Emal TD
Sulfuric acid monolauryl ester triethanolamine salt
Sulfetal KT 400
Triethanolammonium dodecyl sulfate
Nikkol TEALS
TEA dodecyl sulfate
Perlankrol ATL 40
Cycloryl WAT
Conco Sulfate TL
Emal TD-L
Empicol TL 40T
Genapol LRT 40
Sapanol AT
DeSulf TLS 40
Alscoap TL 40T
Nissan Persoft SFT
Carsonol TLS
Persoft SFT
Norfox TLS
Nikkol TEALS 42
Alscoap NM 40T
Sinolin TP
Sandet LTD
Taipol NLT 42
Ultrafax TLS
Alscoap LS 40T
Tipole NLT 42
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 415.59 g/mol | CAS Common Chemistry |
| 415.59300000000025 g/mol | RDKit | |
| 415.260373652 g/mol | RDKit | |
| Canonical SMILES | O=S(=O)(O)OCCCCCCCCCCCC.OCCN(CCO)CCO | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=JZKFHQMONDVVNF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Triethanolamine lauryl sulfate | CAS Common Chemistry |
| Heavy Atom Count | 27 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 18 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 127.53000000000002 Ų | RDKit |
| LogP | 1.9920000000000004 | RDKit |
| Molar Refractivity | 107.04200000000007 | RDKit |
