Thiocure petma
Basic information
- CAS
10193-99-4- Standard SMILES
O=C(CS)OCC(COC(=O)CS)(COC(=O)CS)COC(=O)CS- InChIKey
RUDUCNPHDIMQCY-UHFFFAOYSA-N- Molecular formula
- C13H20O8S4
- Average molar mass
- 432.6 g/mol
- Monoisotopic mass
- 432.00410229
Names & identifiers
- Preferred name
- Thiocure petma
- IUPAC
- [3-(2-sulfanylacetyl)oxy-2,2-bis[(2-sulfanylacetyl)oxymethyl]propyl] 2-sulfanylacetate
- English name
- Pentaerythritol tetrakis(2-mercaptoacetate)
- Molecular formula
- C13H20O8S4
- Molecular weight
- 432.55
Names & synonyms
10193-99-4Pentaerythritol tetrakis(2-mercaptoacetate)Thiocure petmaPentaerythritol tetrakis(thioglycolate)PE-TSA36R0OK7GPKpentaerythritol tetra(mercaptoacetate)Pentaerythritol, tetrakis(mercaptoacetate)pentaerythritol tetra(thioglycolate)NSC-65476NSC-5282942,2-Bis(((mercaptoacetyl)oxy)methyl)-1,3-propanediyl bis(mercaptoacetate)
Show more names
terPENTAERYTHRITOL TETRATHIOGLYCOLATETetrakis(mercaptoacetoxymethyl)methaneMercaptoacetic acid pentaerythrityl esterPENTAERYTHRITOL TETRAKIS(MERCAPTOACETATE)PentaerythritolTetrakis(mercaptoacetate)>PENTAERYTHRITOL TETRAKIS(2-MERCAPTO-ACET ATE), TECH.
DTXSID8064989PENTAERYTHRITOL TETRAKIS(3-MERCAPTOACETATE)Acetic acid, 2-mercapto-, 1,1'-(2,2-bis(((2-mercaptoacetyl)oxy)methyl)-1,3-propanediyl) esterAcetic acid, mercapto-, 2,2-bis(((mercaptoacetyl)oxy)methyl)-1,3-propanediyl esterAcetic acid, mercapto-, 2,2-bis[[(mercaptoacetyl)oxy]methyl]-1,3-propanediyl ester2,2-bis[[(mercaptoacetyl)oxy]methyl]-1,3-propanediyl bis(mercaptoacetate)Acetic acid, 2-mercapto-, 1,1'-[2,2-bis[[(2-mercaptoacetyl)oxy]methyl]-1,3-propanediyl] esterRefChem:897771
Database identifiers
- CAS
10193-99-4- PubChem CID
- 82441
- DTXSID
DTXSID8064989- UNII
- 36R0OK7GPK
- EC Number
- 233-482-8
- Nikkaji
- J25.550E
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 16
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 385
Physicochemical properties
- Boiling point
- 250 °C1 · 250 °C1 mm Hg(lit.)
- Density
- 1.385 g/mL · 1.385 g/mL at 25 °C(lit.)
- vapor pressure
- 0.001 Pa · 0.001Pa at 25℃
- refractive index
- 20 · n20/D 1.547(lit.)
- Flash point
- 230 °F · >230 °F
- solubility
- Practically insoluble in water
- form
- clear liquid
- pka
- 7.19 · 7.19±0.10(Predicted)
- Specific Gravity
- 1.385 · 1.385 (25℃)
- color
- Colorless to Almost colorless
- Water Solubility
- 693 mg/L · 693mg/L at 21℃
- LogP
- 1.92 at · 1.92 at 20℃
- CAS DataBase Reference
- 10193 · 10193-99-4(CAS DataBase Reference)
- FDA UNII
- 36 R0OK7GPK · 36R0OK7GPK
- EPA Substance Registry System
- 2 · Acetic acid, mercapto-, 2,2-bis[[(mercaptoacetyl)oxy]methyl]-1,3-propanediyl ester (10193-99-4)
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 2.3% (1 of 43) of reports.
Warning
H315 (93%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Acetic acid, mercapto-, 2,2-bis[[(mercaptoacetyl)oxy]methyl]-1,3-propanediyl ester
REACH registered substance: 2,2-bis[[(mercaptoacetyl)oxy]methyl]-1,3-propanediyl bis(mercaptoacetate) (EC: 233-482-8)
Pentaerythritol tetra(thioglycolate): Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (93%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29189900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39-36/37
- Hazard statements
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetic acid, 2-mercapto-, 1,1'-[2,2-bis[[(2-mercaptoacetyl)oxy]methyl]-1,3-propanediyl] ester: ACTIVE
Applications
UsesPentaerythritol Tetrakis(2-mercaptoacetate) can be used for agrochemical composition.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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