3D Mol Similar

WINGSTAY 100

Iupac Name：2-[2-[2-[2-(3-dodecylsulfanylpropanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 3-dodecylsulfanylpropanoate

CAS No.: 64253-30-1

Molecular Weight：707.123

Modify Date.: 2022-11-25 09:20

Introduction:

Finishing agents

Fabric, textile, and leather products not covered elsewhere

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1. Names and Identifiers

1.1 Name: WINGSTAY 100
1.2 Synonyms: 1,11-(3,6,9-TRIOXAUNDECYL)-BIS-(DODECYLTHIO)PROPIONATE 3-(DODECYLTHIO)-,OXYBIS(2,1-ETHANEDIYLOXY-2,1-ETHANEDIYL)PROPIONATE Bis-(3-dodecylthio)-propionic acid 1,11-(3,6,9-trioxaundecyl)-ester Bis[3-(dodecylthio)propanoic acid]oxybis(2,1-ethanediyloxy-2,1-ethanediyl) ester Einecs 264-757-0 oxybis(ethane-2,1-diyloxyethane-2,1-diyl) bis[3-(dodecylthio)propionate] Propanoic acid, 3-(dodecylthio)-, 1,1'-(oxybis(2,1-ethanediyloxy-2,1-ethanediyl)) ester WINGSTAY S

1.3 CAS No.: 64253-30-1

1.4 CID: 93351

1.5 EINECS(EC#): 264-757-0

1.6 Molecular Formula: C38H74O7S2 (isomer)

1.7 Inchi: InChI=1S/C38H74O7S2/c1-3-5-7-9-11-13-15-17-19-21-33-46-35-23-37(39)44-31-29-42-27-25-41-26-28-43-30-32-45-38(40)24-36-47-34-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3

1.8 InChkey: NMWLFOFCBZILSO-UHFFFAOYSA-N

1.9 Canonical Smiles: CCCCCCCCCCCCSCCC(=O)OCCOCCOCCOCCOC(=O)CCSCCCCCCCCCCCC

1.10 Isomers Smiles: CCCCCCCCCCCCSCCC(=O)OCCOCCOCCOCCOC(=O)CCSCCCCCCCCCCCC

2. Properties

2.1 Density: 0.996

2.1 Boiling point: 720.8°C at 760 mmHg

2.1 Refractive index: 1.483

2.1 Flash Point: 337.7°C

2.1 Precise Quality: 706.48800

2.1 PSA: 130.89000

2.1 logP: 10.21100

2.1 Physical: Liquid

3. Use and Manufacturing

3.1 GHS Classification: Signal: Warning
GHS Hazard Statements
Aggregated GHS information provided by 73 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Reported as not meeting GHS hazard criteria by 66 of 73 companies. For more detailed information, please visit ECHA C&L website

Of the 2 notification(s) provided by 7 of 73 companies with hazard statement code(s):

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
H410 (57.14%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P273, P391, and P501

4. Safety and Handling

4.1 Safety Statements: Experimental reproductive effects. When heated to decomposition it emits toxic vapors of SOx.

4.1 Safety Profile: Experimental reproductive effects. When heated to decomposition it emits toxic vapors of SOx. WINGSTAY 100Supplier

4.2 Safety: Experimental reproductive effects. When heated to decomposition it emits toxic vapors of SO_x.

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)	No symbol.
Signal word	No signal word.
Hazard statement(s)	none
Precautionary statement(s)
Prevention	none
Response	none
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

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6. Other Information

6.0 Production: 100,000 - 500,000 lb

6.1 Manufacturing Info: All other basic organic chemical manufacturing|Propanoic acid, 3-(dodecylthio)-, 1,1'-[oxybis(2,1-ethanediyloxy-2,1-ethanediyl)] ester: ACTIVE

6.2 Safety Profile: Experimental reproductive effects. When heated to decomposition it emits toxic vapors of SOx.

7. Computational chemical data

Molecular Weight: 707.123g/mol
Molecular Formula: C₃₈H₇₄O₇S₂
Compound Is Canonicalized: True
XLogP3-AA: 11.9
Exact Mass: 706.48759704
Monoisotopic Mass: 706.48759704
Complexity: 587
Rotatable Bond Count: 42
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 9
Topological Polar Surface Area: 131
Heavy Atom Count: 47
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADcfB8OABgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgQAAAAACACkwAKCCAAABAgIAACQCAAAAAAAABAAAAEAAAABAAIgAAACAAAAAAAiAAEAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==