chempirical

Calcium dodecylbenzenesulfonate

C36H62CaO6S2CAS 26264-06-2695.08 g/mol

Open in Covalent MOL file
SOOO−SOOO−Ca2+
Sulfonic acid

Properties

Molecular formula
C36H62CaO6S2
Molar mass
695.08 g/mol
Exact mass
694.3614 Da
logP
10.65Crippen estimate
Polar surface area
114.4 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
20

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
26264-06-2
SMILES
CCCCCCCCCCCC.CCCCCCCCCCCC.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-].[Ca+2]
InChIKey
LWDXFOSACPIHEU-UHFFFAOYSA-L
InChI
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

66 names · show all
  • Hymal PS 90A
  • Benzenesulfonic acid, dodecyl-, calcium salt (2:1)
  • Benzenesulfonic acid, dodecyl-, calcium salt
  • Calcium n-dodecylbenzenesulfonate
  • Dodecylbenzenesulfonic acid calcium salt
  • Sinnozon NCX 70
  • Soprofor S 70
  • Casul 70HF
  • 1371A
  • Ninate 401
  • Alkasurf CA
  • Soprophor 60B
  • Soprophor 70
  • Rhodacal 60BHT
  • Wettol EM 1
  • Geronol FE 4E
  • Alkanate CS
  • Rhodacal 70B
  • Atlox 4838B
  • Pionin A 41C
  • Ninate 401A
  • Witconate 60L
  • Taycapower BC 2070M-A
  • AASCA 60
  • BC 2070M
  • Agnique ABS 60C
  • Rhodacal 60BE
  • Nansa EVM 70I
  • Kemmat HF 60
  • Nansa EVM 62H
  • Rhodacal 70
  • Phenylsulfonate CAL
  • Agnique ABS 60CH
  • Witconate P 1860
  • Emulsifier 1371A
  • Rhodacal 70B-C
  • Witconate P 1220EH
  • Agnique ABS 70CB
  • Agnique ABS 65C
  • Neopelex C 70
  • Ninate 60E
  • Unicabs
  • Agnique ABS 70C
  • Taycapower BC 2070M
  • Calsogen AR 100
  • Rhodacal 60BE-C
  • Calcium dodecylphenylsulfonate
  • Ninate 60L
  • Nansa EVM 70/2E
  • Calsogen cal 62
  • Salca BX
  • Newkalgen AD 85C
  • Agnique ABS 60CB
  • Calsogen 4814
  • Tanemul 1371A
  • CaDDBS
  • Calsogen ARL 100ND
  • Rhodacal CA
  • Agnique ABS 65C4
  • Dodecylbenzene calcium sulfonate
  • 14179TX
  • Rhodacal 60B
  • Rhodacal 60/BE-A
  • Rhodacal 6O/BE
  • Nansa EVM 40/2NDL
  • Agnique ABS 60 C-EH

Work with Calcium dodecylbenzenesulfonate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Sodium benzenesulfonate515-42-456 % similar Sodium dodecylbenzenesulfonate25155-30-052 % similar N-Butylbenzenesulfonamide3622-84-245 % similar Butyl benzenesulfonate80-44-445 % similar Decylbenzene104-72-344 % similar Hexylbenzene1077-16-344 % similar Heptylbenzene1078-71-344 % similar n-Nonylbenzene1081-77-244 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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