Calcium Dodecylbenzenesulphonate
fo-d589efcafd80d13b
Identity
- Type
- Chemical salt
- CAS
- 26264-06-2
- EC
- 247-557-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
Alternative labels
64- 1371A
- 14179TX
- AASCA 60
- Agnique ABS 60 C-EH
- Agnique ABS 60C
- Agnique ABS 60CB
- Agnique ABS 60CH
- Agnique ABS 65C
- Agnique ABS 65C4
- Agnique ABS 70C
- Agnique ABS 70CB
- Alkanate CS
- Alkasurf CA
- Benzenesulfonic acid, dodecyl-, calcium salt
- Benzenesulfonic acid, dodecyl-, calcium salt (2:1)
- CaDDBS
- Calcium dodecylbenzene sulfonate
- Calcium dodecylbenzenesulfonate
- Calcium dodecylphenylsulfonate
- Calcium n-dodecylbenzenesulfonate
- Calsogen AR 100
- Calsogen ARL 100ND
- Calsogen Cal 62
- Casul 70HF
- Dodecylbenzene calcium sulfonate
- Dodecylbenzenesulfonic acid calcium salt
- Emcol P 1860
- Geronol FE 4E
- Hymal PS 90A
- Kemmat HF 60
- Nansa EVM 40/2NDL
- Nansa EVM 62H
- Nansa EVM 70/2E
- Nansa EVM 70B
- Nansa EVM 70I
- Neopelex C 70
- Newkalgen AD 85C
- Ninate 60E
- Ninate 60L
- Ninate 70B
- Phenylsulfonat CAL
- Pionin A 41C
- Rhodacal 60/BE-A
- Rhodacal 60B
- Rhodacal 60BE
- Rhodacal 60BE-C
- Rhodacal 60BHT
- Rhodacal 6O/BE
- Rhodacal 70
- Rhodacal 70B
- Rhodacal 70B-C
- Rhodacal CA
- Salca BX
- Sinnozon NCX 70
- Soprofor S 70
- Soprophor 60B
- Soprophor 70
- Taycapower BC 2070M
- Taycapower BC 2070M-A
- Unicabs
- Wettol EM 1
- Witconate 60L
- Witconate P 1220EH
- Witconate P 1860
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | HCWYXKWQOMTBKY-UHFFFAOYSA-N, LWDXFOSACPIHEU-UHFFFAOYSA-L |
| InChI2D string chemrof:inchi2d_string | InChI=1S/2C12H26.2C6H6O3S.Ca/c2*1-3-5-7-9-11-12-10-8-6-4-2;2*7-10(8,9)6-4-2-1-3-5-6;/h2*3-12H2,1-2H3;2*1-5H,(H,7,8,9);/q;;;;+2/p-2, InChI=1S/C18H30O3S.Ca/c1-2-3-4-5-6-7-8-9-10-14-17-21-22(19,20)18-15-12-11-13-16-18;/h11-13,15-16H,2-10,14,17H2,1H3; |
| IUPAC name chemrof:IUPAC_name | calcium;benzenesulfonate;bis(dodecane), calcium;bis(dodecane);dibesylate |
| Molecular formula chemrof:molecular_formula | C18H30CaO3S, C36H62CaO6S2 |
| SMILES string chemrof:smiles_string | CCCCCCCCCCCC.CCCCCCCCCCCC.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-].[Ca+2], CCCCCCCCCCCCOS(=O)(=O)C1=CC=CC=C1.[Ca] |
Known URLs
4Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=26264-06-2 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.043.219 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/156614057 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/57345970 | enrich_references.pubchem_compound |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 9668ff29-98a2-41d8-81c7-bbc3787066f6 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| d6c3f45e-fa4c-4db5-9ea8-5430a74494a1 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 3f4211e6-2299-4b6a-bca4-23ea4efb5e31 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 1cfdf324-485a-4f41-b7a1-75af9c40b5f7 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 06f17234-779b-434c-af21-bf4bc385b89b | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 74b425be-de56-4720-a3d9-5bf687a14f74 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| c26e8f1a-ec96-4753-9186-38c4e1e5e435 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 197b4ce2-9f42-4adf-832a-c3c2567a4b40 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 0ce87e9f-15f8-428e-9d0b-c54f23c068ef | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 667a4d9b-bc26-4369-a101-9e19c9ce1481 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 51fd0dfb-bc22-4e31-b15b-040891e6543b | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 5c5e3d90-6a2d-4f5c-a492-7ee2b27df3a4 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 58c9b662-f89f-4fdd-8edb-6d79a9af3986 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
{
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{
"@value": "Calcium Dodecylbenzenesulphonate",
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},
{
"@value": "Benzenesulfonic acid, dodecyl-, calcium salt",
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{
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},
{
"@value": "CaDDBS",
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{
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{
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},
{
"@value": "Calcium dodecylphenylsulfonate",
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},
{
"@value": "Calcium n-dodecylbenzenesulfonate",
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{
"@value": "Calsogen AR 100",
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{
"@value": "Calsogen ARL 100ND",
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{
"@value": "Calsogen Cal 62",
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{
"@value": "Casul 70HF",
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},
{
"@value": "Dodecylbenzene calcium sulfonate",
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},
{
"@value": "Dodecylbenzenesulfonic acid calcium salt",
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{
"@value": "Emcol P 1860",
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{
"@value": "Geronol FE 4E",
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{
"@value": "Hymal PS 90A",
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},
{
"@value": "Kemmat HF 60",
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},
{
"@value": "Nansa EVM 40/2NDL",
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},
{
"@value": "Nansa EVM 62H",
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{
"@value": "Nansa EVM 70/2E",
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{
"@value": "Nansa EVM 70B",
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},
{
"@value": "Nansa EVM 70I",
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},
{
"@value": "Neopelex C 70",
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},
{
"@value": "Newkalgen AD 85C",
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{
"@value": "Ninate 60E",
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