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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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Also known as: Carbopol 941, 9062-04-8, Synthalen l, Carbomer-941, Carbopol 971p, Carbopol 981

Molecular Formula

C₄₂H₈₀O₈

Molecular Weight

713.1 g/mol

InChI Key

JVTIXNMXDLQEJE-UHFFFAOYSA-N

1 2D Structure

Synthalen L

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-decanoyloxypropyl decanoate;2-octanoyloxypropyl octanoate

2.1.2 InChI

InChI=1S/C23H44O4.C19H36O4/c1-4-6-8-10-12-14-16-18-22(24)26-20-21(3)27-23(25)19-17-15-13-11-9-7-5-2;1-4-6-8-10-12-14-18(20)22-16-17(3)23-19(21)15-13-11-9-7-5-2/h21H,4-20H2,1-3H3;17H,4-16H2,1-3H3

2.1.3 InChI Key

JVTIXNMXDLQEJE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCC.CCCCCCCC(=O)OCC(C)OC(=O)CCCCCCC

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Acrylic Acid, Polymers

2. Carbomer 934p

3. Carbomer 940

4. Carbomer Homopolymer Type C (allyl Pentaerythritol Crosslinked)

5. Carbomer-934

6. Carbopol 940

7. Carbopol 940, Ammonium Salt

8. Carbopol 940, Calcium Salt

9. Carbopol 941

10. Cavity Conditioner

11. Gc Conditioner

12. Hiviswako 105

13. Paa170

14. Paa20 Cpd

15. Paa60 Cpd

16. Poly(acrylic Acid)

17. Poly(sodium Acrylate)

18. Polyacrylate Sodium

19. Polyacrylic Acid

20. Sodium Polyacrylate

2.2.2 Depositor-Supplied Synonyms

1. Carbopol 941

2. 9062-04-8

3. Synthalen L

4. Carbomer-941

5. Carbopol 971p

6. Carbopol 981

7. Carbomer 941 [usan:nf]

8. 2-decanoyloxypropyl Decanoate;2-octanoyloxypropyl Octanoate

9. Decanoic Acid, 1-methyl-1,2-ethanediyl Ester Mixed With 1-methyl-1,2-ethanediyl Dioctanoate

2.3 Create Date

2015-08-01

3 Chemical and Physical Properties

Molecular Formula	C₄₂H₈₀O₈
Molecular Weight	713.1 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	38
Exact Mass	712.58531951 g/mol
Monoisotopic Mass	712.58531951 g/mol
Topological Polar Surface Area	105 Å²
Heavy Atom Count	50
Formal Charge	0
Complexity	656
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Dental Materials

Materials used in the production of dental bases, restorations, impressions, prostheses, etc. (See all compounds classified as Dental Materials.)

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Synthalen L

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