Basic information
- CAS
13103-52-1- Standard SMILES
CCCCCCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC- InChIKey
RRZCFXQTVDJDGF-UHFFFAOYSA-N- Molecular formula
- C36H70O4S
- Average molar mass
- 599 g/mol
- Monoisotopic mass
- 598.49948188
Names & identifiers
- Preferred name
- Octadecyl 3-[[3-(dodecyloxy)-3-oxopropyl]thio]propionate
- IUPAC
- dodecyl 3-(3-octadecoxy-3-oxopropyl)sulfanylpropanoate
- English name
- octadecyl 3-[[3-(dodecyloxy)-3-oxopropyl]thio]propionate
- Molecular formula
- C36H70O4S
- Molecular weight
- 599
Names & synonyms
Octadecyl 3-[[3-(dodecyloxy)-3-oxopropyl]thio]propionateOctadecyl 3-((3-(dodecyloxy)-3-oxopropyl)thio)propionateOctadecyl 3-[[3-(dodecyloxy)-3-oxopropyl]thio]propanoateDTXSID0065353Propanoic acid, 3-[[3-(dodecyloxy)-3-oxopropyl]thio]-, octadecyl esterPropanoic acid, 3-((3-(dodecyloxy)-3-oxopropyl)thio)-, octadecyl esterOctadecyl 3-((3-(dodecyloxy)-3-oxopropyl)thio)propanoateRefChem:855770DTXCID4034021236-025-013103-52-1Lauryl stearyl 3,3'-thiodipropionate
Show more names
3,3'-Thiobispropionic acid 1-dodecyl 1'-octadecyl ester3-[2-[(Lauryloxy)carbonyl]ethylthio]propionic acid stearyl ester3-[[3-(dodecyloxy)-3-oxopropyl]thio]-propanoic acioctadecyl ester3-[[3-(dodecyloxy)-3-oxopropyl]thio]-propanoic aci octadecyl ester
dodecyl 3-(3-octadecoxy-3-oxopropyl)sulfanylpropanoatelauryl stearyl thiodipropionateoctadecyl3-[[3-(dodecyloxy)-3-oxopropyl]thio]propionateEINECS 236-025-0dodecyl octadecyl 3,3'-sulfanediyldipropanoateCyanox(R) 1212SCHEMBL247153RRZCFXQTVDJDGF-UHFFFAOYSA-N
Properties
Computed structural properties
- XLogP
- 14.9
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 36
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 540
Experimental & physicochemical properties
Physical DescriptionLarge Crystals
Physicochemical properties
- Boiling point
- 645 · 645.0±40.0 °C(Predicted)
- Density
- 0.93 · 0.930±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 3 · Lauryl stearyl 3,3'-thiodipropionate (13103-52-1)
- Hazard statements
- 412 · H412
- Precautionary statements
- 273 · P273-P501
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 93.3% (14 of 15) of all reports.
Not Classified
Aggregated GHS information provided per 15 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Propanoic acid, 3-[[3-(dodecyloxy)-3-oxopropyl]thio]-, octadecyl ester
Propanoic acid, 3-[[3-(dodecyloxy)-3-oxopropyl]thio]-, octadecyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanoic acid, 3-[[3-(dodecyloxy)-3-oxopropyl]thio]-, octadecyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Hazard statements
- H412
- Precautionary statements
- P273-P501
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 38,112 lb
Consumer UsesAntioxidant
Industry UsesAntioxidant
General Manufacturing Information
Plastics Material and Resin Manufacturing
Propanoic acid, 3-[[3-(dodecyloxy)-3-oxopropyl]thio]-, octadecyl ester: ACTIVE
Suppliers5 total
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…