Finding Polymer Information Part 2: Advanced

1. Finding Polymer Information Part 2: Advanced hbz Meeting 2012

2. Agenda • Polymers in SciFinder for Advanced Users • Functionalized Polymers and post polymerization treated Polymers • Manually registered Polymers • Rubbers and Fibers • Polymer Blends • Very Special Polymers • Additional Information

3. Polymers in SciFinder for Advanced Users • Polymer Information might be more difficult to retrieve with SciFinder, than for example information about pure organic compounds. • This is not due to a lack of functionalities in SciFinder, but to the complexity of possible polymers. • Polymers are by far harder to be systematically indexed then simple organic compounds! • Several descriptors are not reflected in CAS Registry and can only be retrieved by a combination of the CAS RN and text in CAplus.

4. Polymers in SciFinder for Advanced Users • Make sure that you have understood the presentation „Finding Polymers Information - Part 1: Basics“ • (Refered later as Polymer Basics) • This presentation will not repeat the basics, which are described previously. • Especially – on the first view – simple search problems might turn out to be pretty challenging and require some background knowledge! • Never give up! There is almost always a way to the information you need in SciFinder – contact the SF help desk for advise (Link is at the bottom of each SF page or use help@cas.org)

5. Functionalized Polymers and posttreated Polymers • Example 1: Polypropylene which was maleated after the polymerization with maleic acid anhydrid Here is your maleated Polypropylen!

6. Functionalized Polymers and posttreated Polymers • Example 2: a sulfonated Formaldehyde Melamin resin The starting resin will be sulfonated Sulfonating reagents

7. Functionalized Polymers and posttreated Polymers • Example 3: sulfonated polymers... This is one of the worst examples how low the information content of a 4 page Chinese Patent may be. At least we know, that polymers are sulfonated and „The arms have round holes“ 

8. Functionalized Polymers and posttreated Polymers • Example 4: 25068-38-6 with fatty acids The Polymer is also posttreated with other reagents like phthalic anhydride

9. Functionalized Polymers and posttreated Polymers • Search strategy 1: • First take an example record in CAplus (best one of your articles!) and explore how CAS indexes the functionalized polymer. • Determine the CAS RN of the polymer which should be functionalized. • Perform a Topic Search: „ xxxxx-xx-x with sulfonated“ • Think about possible synonyms! For example „fatty acids“ might be replaced with „castor oil“, „soybean oil“ or „carboxylic acid“ to retrieve reaction products with a polymer! • Stay with the closely associated answer set!

10. Functionalized Polymers and posttreated Polymers • Search strategy 2: • If the functionalizing agent is well described you can localize its CAS RN (i.e. Maleic anhydride) • Determine the CAS RN of the polymer which should be functionalized • Perform a Topic Search: „polypropylene with maleated (maleic anhydride)“ • Stay with the closely associated answer set! • You can also combine answer sets to receive a most comprehensive one!

11. Functionalized Polymers and posttreated Polymers • Search strategy 2: Take the „closely associated“ answer set with the both concepts (maleated and maleic anhydride)

12. Manually registered Polymers • A large number of Polymers are „Manually Registered“ (~200000 of the 1.5 Mio Polymers) • Certainly all registrations are performed intellectually, but in these cases the CAS Editor couldn‘t assign a normal monomer based or SRU Registry entry. • There are different types of manually registered polymers: • Only the tradename is known, no clear description but the Editor adds an „ENTE“ (Editors Note) ~ 112000 • Only one component of a Polymer is unspecified and that requires a manual registration. ~80000

13. Manually registered Polymers • 2 examples: „PS 4300“ and „Go Devil II“ Both are pretty undefined! Go 2 Devil...

14. Manually registered Polymers • Search strategy for manually registered polymers with only one component which is unspecified: • In SciFinder (and also on STN) the „ENTE“ field is not searchable, so the only remaining information is the trade name • Search the trade name in „Substance Identifier“ • In most cases there will be only one or a few references linked to the substance entry

15. Manually registered Polymers • An Example for a Polymer (848871-87-3) with an unspecified component (126731-28-0): The completly unspecified compound! Also this compound, where the position of the Methyl is not clear can‘t be searched by „Structure Search“

16. Manually registered Polymers • Search strategy for manually registered polymers with one or some components which are unspecified: • Search the trade name in „Substance Identifier“ • In most cases there will be only one or a few references linked to the substance entry • As there are well definded monomers in these registrations, you can search for all of them in a „Structure Search“ and leave „Single Components“ untagged.

17. Manually registered Polymers • Draw some of the defined monomers of 848871-87-3 Go for the „Exact Search“

18. Manually registered Polymers Don‘t mark „Single Component“ here! You want more components...

19. Manually registered Polymers Here we have an unspecified component. Try this search yourself and check out the 6 substances!

20. Rubbers and Fibers • There some (very unspecific) often used rubbers which don‘t have a CAS Registry Number. • Styrene rubber, Styrene-butadiene rubber, Isoprene-styrene rubber, EPDM rubber, Ethylene-propylene rubber, Neoprene rubber, ABS rubber, Butyl rubber, Butadiene rubber, Ethylene-vinyl acetate rubber, Epichlorohydrin rubber, Acrylic rubber,Fluoro rubber, Nitrile rubber, Urethane rubber, Polyester rubber, Silicone rubber, Natural rubber, etc. • They are indexed as an Index term in CAplus • Search Strategy: • Search them in the Topic Search!

21. Rubbers and Fibers • There some often used fibers which don‘t have a CAS Registry Number. • Nylon 66 fibers => use Polyamide fibers • PET fibers => use Polyester fibers • PP fibers => use Polypropylene fibers • Cellulose acetate => use Acetate fibers • Cellulose fibers => use Rayon • Polyacrylonitrile => use Acrylic fibers • PVA fibers => use Vinal fibers • PVC fibers => use Vinyon fibers • They are indexed as an Index term in CAplus • Search Strategy: • Search them in the Topic Search!

22. Polymer Blends • CAS doesn’t create a separate registration for a Polymer blend or Polymer alloy. • Blends are indexed on both: the CAS RN of the individual polymers and the word “blend” is listed in the text below the CAS RN. • Very often the CAS Index Term „Polymer Blend“ is indexed for the article or patent. • CAS doesn‘t abstract the composition of a Polymer Blends. • Only in few cases the term „Alloy“ is used.

23. Polymer Blends • Example 1: Polymer blend of 9002-84-0 CAS Index Term „Polymer blends“ The CAS RN you looked for with blend in the text below!

24. Polymer Blends • Search strategy for Polymer blends: • Determine the CAS RN of the Polymer and search it in the „Topic Search“. • Example: „9002-84-0 blend“ • You may enter more CAS RNs (or chemical names) for other components of the blend. • Example: „9002-84-0 blend with PEG“

25. Polymer Blends • Example 1: 9002-84-0 blend with PEG Here you have the blend with PEG of Tetrafluoroethylene!

26. Very Special Polymers • There are several „very special polymers“ like Dendrimers (~20000 articles), Hyperbranched Polymers (~7000) or Cyclopolymers (~1800). • CAS doesn‘t assign (yet) a specific CAS RN for them. • The only possibility to search them, is to use a „Topic Search“ • Often the description (espescially in patents) is vague, so that a precise indexing is challenging.

27. Very Special Polymers • Search Strategy: • As in all areas where indexing is difficult you have to rely on the „Topic Search“ • For Dendrimers try different Topic Searches with synonyms and with other information • Example: „Dendritic phenylazomethines“ • The core of Dendrimers can often be searched by structure as it indexed as a reactant!

28. Dendritic Polymer example: New! Nice graphical abstracts in SciFinder

29. Cyclopolymer example:

30. Additional Information • You should have read the presentation „Finding Polymer Information – Part 1: Basics“ already ! • Use the SciFinder Help for more technical questions, but also tips and tricks. • Never give up! There is almost always a way in SciFinder to find your desired answers. • Describe your problem to our Help Desk help@cas.org • Tip: save your history and attach it to your message to our Help Desk! • Arrange a SciFinder Expert support session with Dr. Faerber on site

31. Finding Polymer Information Part 2: Advanced Questions? Comments?