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2D Structure
Also known as: 9003-07-0, 12-[(2s,3r)-3-octyloxiran-2-yl]dodecanoic acid, Oxiranedodecanoic acid, 3-octyl-, cis-, Cis-13,14-epoxydocosanoic acid, 2-oxiranedodecanoic acid, 3-octyl-, (2r,3s)-rel-, N-fmoc-5-aminolevulinicacid
Molecular Formula
C22H42O3
Molecular Weight
354.6  g/mol
InChI Key
NSYDMBURIUSUDH-RTWAWAEBSA-N

Propylene or propene polymers. Thermoplastics that can be extruded into fibers, films or solid forms. They are used as a copolymer in plastics, especially polyethylene. The fibers are used for fabrics, filters and surgical sutures.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
12-[(2S,3R)-3-octyloxiran-2-yl]dodecanoic acid
2.1.2 InChI
InChI=1S/C22H42O3/c1-2-3-4-5-11-14-17-20-21(25-20)18-15-12-9-7-6-8-10-13-16-19-22(23)24/h20-21H,2-19H2,1H3,(H,23,24)/t20-,21+/m1/s1
2.1.3 InChI Key
NSYDMBURIUSUDH-RTWAWAEBSA-N
2.1.4 Canonical SMILES
CCCCCCCCC1C(O1)CCCCCCCCCCCC(=O)O
2.1.5 Isomeric SMILES
CCCCCCCC[C@@H]1[C@@H](O1)CCCCCCCCCCCC(=O)O
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Celgard

2. Hostalen

3. Marlex

4. Marlex Polypropylene

5. Polymers, Propene

6. Polymers, Propylene

7. Polypro

8. Polypropylene, Marlex

9. Polypropylenes

10. Prolene

11. Propene Polymers

12. Propylene Polymers

2.2.2 Depositor-Supplied Synonyms

1. 9003-07-0

2. 12-[(2s,3r)-3-octyloxiran-2-yl]dodecanoic Acid

3. Oxiranedodecanoic Acid, 3-octyl-, Cis-

4. Cis-13,14-epoxydocosanoic Acid

5. 2-oxiranedodecanoic Acid, 3-octyl-, (2r,3s)-rel-

6. N-fmoc-5-aminolevulinicacid

7. Oxiranedodecanoic Acid, 3-octyl-, (2r,3s)-rel-

8. Zinc111391968

9. 3beta-octyloxirane-2beta-dodecanoic Acid

10. 12-(3-octyl-2-oxiranyl)dodecanoic Acid #

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 354.6 g/mol
Molecular Formula C22H42O3
XLogP38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count19
Exact Mass354.31339520 g/mol
Monoisotopic Mass354.31339520 g/mol
Topological Polar Surface Area49.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity316
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 Absorption, Distribution and Excretion

(14)C-LABELLED SAMPLES OF POLYPROPYLENES...FRACTIONS OF HIGH POLYMER SOL IN VEGETABLE OIL, HAVE BEEN ADMIN ORALLY TO RATS. NO TRACE OF THESE MATERIALS WAS FOUND IN BODY, AMT ADMIN BEING COMPLETELY EXCRETED. IT MAY BE CONCLUDED THAT INSOL FRACTIONS OF POLYPROPYLENE PASS UNCHANGED THROUGH ORGANISM.

Grant, W. M. Toxicology of the Eye. 2nd ed. Springfield, Illinois: Charles C. Thomas, 1974., p. 50