2-((3-(3-Mercapto-1-oxopropoxy)-2,2-bis((3-mercapto-1-oxopropoxy)methyl)propoxy)methyl)-2-((3-mercapto-1-oxopropoxy)methyl)propane-1,3-diyl bis(3-mercaptopropionate)
Basic information
- CAS
25359-71-1- Standard SMILES
O=C(CCS)OCC(COCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS- InChIKey
YAAUVJUJVBJRSQ-UHFFFAOYSA-N- Molecular formula
- C28H46O13S6
- Average molar mass
- 783.1 g/mol
- Monoisotopic mass
- 782.12626856
Names & identifiers
- Preferred name
- 2-((3-(3-Mercapto-1-oxopropoxy)-2,2-bis((3-mercapto-1-oxopropoxy)methyl)propoxy)methyl)-2-((3-mercapto-1-oxopropoxy)methyl)propane-1,3-diyl bis(3-mercaptopropionate)
- IUPAC
- [3-(3-sulfanylpropanoyloxy)-2-[[3-(3-sulfanylpropanoyloxy)-2,2-bis(3-sulfanylpropanoyloxymethyl)propoxy]methyl]-2-(3-sulfanylpropanoyloxymethyl)propyl] 3-sulfanylpropanoate
- English name
- Dipentaerythritol hexakis(3-mercaptopropionate)
- Molecular formula
- C28H46O13S6
- Molecular weight
- 783.05
Names & synonyms
EINECS 246-893-22-((3-(3-Mercapto-1-oxopropoxy)-2,2-bis((3-mercapto-1-oxopropoxy)methyl)propoxy)methyl)-2-((3-mercapto-1-oxopropoxy)methyl)propane-1,3-diyl bis(3-mercaptopropionate)2-[[3-(3-mercapto-1-oxopropoxy)-2,2-bis[(3-mercapto-1-oxopropoxy)methyl]propoxy]methyl]-2-[(3-mercapto-1-oxopropoxy)methyl]propane-1,3-diyl bis[3-mercaptopropionate]RefChem:448008246-893-225359-71-1DIPENTAERYTHRITOL HEXAKIS(3-MERCAPTOPROPIONATE)dipentaerythritol hexa(3-mercaptopropionate)MFCD00128217DiPETMP[3-(3-sulfanylpropanoyloxy)-2-[[3-(3-sulfanylpropanoyloxy)-2,2-bis(3-sulfanylpropanoyloxymethyl)propoxy]methyl]-2-(3-sulfanylpropanoyloxymethyl)propyl] 3-sulfanylpropanoatePropanoic acid, 3-mercapto-, 1,1'-[2-[[3-(3-mercapto-1-oxopropoxy)-2,2-bis[(3-me
Show more names
DI-PETMP(3-now propionic acid) pentanol vinegarHexa(3-mercaptopropionic acid) dicetapentanol ester
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 34
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 785
Physicochemical properties
- Boiling point
- 828.8 · 828.8±65.0 °C(Predicted)
- Density
- 1.299 · 1.299±0.06 g/cm3(Predicted)
- refractive index
- 1.531 to · 1.5310 to 1.5360
- Water Solubility
- Practically insoluble in water
- form
- clear liquid
- pka
- 8.82 · 8.82±0.10(Predicted)
- color
- Colorless to Light yellow to Light orange
- Cosmetics Ingredients Functions
- BINDING
- InChIKey
- YAAUVJUJVBJRSQ-UHFFFAOYSA-N
- SMILES
- C(OC(=O)CCS)C(COCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- HS Code
- 2930.9 · 2930.90.9250
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
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 2930.90.9250
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
UsesDIPENTAERYTHRITOL HEXAKIS (3-MERCAPTOPROPIONATE) can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and pharmaceutical and chemical production process.
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Compound notes
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