disodium 4-dodecyl 2-sulphonatosuccinate
- Iupac Name：disodium 4-dodecan-4-yloxy-4-oxo-3-sulfonatobutanoate
- CAS No.: 13192-12-6
- Molecular Weight：410.43386
- Modify Date.: 2022-11-02 03:18
1. Names and Identifiers
- 1.1 Name
- disodium 4-dodecyl 2-sulphonatosuccinate
- 1.2 Synonyms
2-(Sodiooxysulfonyl)-4-(dodecyloxy)-4-oxobutanoic acid sodium salt 2-[(Sodiooxy)sulfonyl]butanedioic acid 1-sodium 4-dodecyl ester salt Butanedioic acid, 2-sulfo-, 4-dodecyl ester, sodium salt (1:2) Butanedioic acid, sulfo-, 4-dodecyl ester, disodium salt disodium 4-dodecyl 2-sulphonatosuccinate disodium,4-dodecan-4-yloxy-4-oxo-3-sulfonatobutanoate Dodecyl sodium sulfosuccinate LDSS Succinic acid, sulfo-, 4-dodecyl ester, disodium salt
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- 1.3 CAS No.
- 13192-12-6
- 1.4 CID
- 10173122
- 1.5 EINECS(EC#)
- 236-149-5
- 1.6 Molecular Formula
- C16H28Na2O7S (isomer)
- 1.7 Inchi
- InChI=1S/C16H30O7S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-23-15(17)13-14(16(18)19)24(20,21)22;;/h14H,2-13H2,1H3,(H,18,19)(H,20,21,22);;/q;2*+1/p-2
- 1.8 InChIkey
- YGAXLGGEEQLLKV-UHFFFAOYSA-L
- 1.9 Canonical Smiles
- CCCCCCCCCCCCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
- 1.10 Isomers Smiles
- CCCCCCCCCCCCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
2. Properties
- 2.1 PSA
- 132.01000
- 2.1 logP
- 2.58350
3. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Serious eye damage, Category 1
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |  |
| Signal word | Danger |
| Hazard statement(s) | H318 Causes serious eye damage |
| Precautionary statement(s) | |
| Prevention | P280 Wear protective gloves/protective clothing/eye protection/face protection. |
| Response | P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P310 Immediately call a POISON CENTER/doctor/… |
| Storage | none |
| Disposal | none |
2.3 Other hazards which do not result in classification
none
4. Computational chemical data
- Molecular Weight: 410.43386g/mol
- Molecular Formula: C16H28Na2O7S
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 410.13511297
- Monoisotopic Mass: 410.13511297
- Complexity: 435
- Rotatable Bond Count: 14
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Topological Polar Surface Area: 132
- Heavy Atom Count: 26
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 3
- CACTVS Substructure Key Fingerprint: AAADceB4ODBAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgQAAAAACACkwAKCCAAABAIIAACQCHBAAAAAAAAAAAEAAAAAABIAAAACAAAEAAAAAAHDwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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6. Realated Product Infomation
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