Basic information
- CAS
15834-04-5- Standard SMILES
CCCCC(=O)OCC(COC(=O)CCCC)(COC(=O)CCCC)COC(=O)CCCC- InChIKey
ZQYCVIGMGPFQQS-UHFFFAOYSA-N- Molecular formula
- C25H44O8
- Average molar mass
- 472.6 g/mol
- Monoisotopic mass
- 472.30361836
Names & identifiers
- Preferred name
- 2,2-Bis(((1-oxopentyl)oxy)methyl)propane-1,3-diyl divalerate
- IUPAC
- [3-pentanoyloxy-2,2-bis(pentanoyloxymethyl)propyl] pentanoate
- English name
- 2,2-bis[[(1-oxopentyl)oxy]methyl]propane-1,3-diyl divalerate
- Molecular formula
- C25H44O8
- Molecular weight
- 472.61
Names & synonyms
pentaerythritol tetrapentanoate2,2-BIS[[(1-OXOPENTYL)OXY]METHYL]PROPANE-1,3-DIYL DIVALERATEDTXSID208932592,2-Bis(((1-oxopentyl)oxy)methyl)propane-1,3-diyl divaleratePentanoic acid, 1,1'-(2,2-bis(((1-oxopentyl)oxy)methyl)-1,3-propanediyl) ester239-937-7Pentanoic acid, 1,1'-[2,2-bis[[(1-oxopentyl)oxy]methyl]-1,3-propanediyl] esterRefChem:440813DTXCID6081313815834-04-5Pentaerythritol tetravalerate[3-pentanoyloxy-2,2-bis(pentanoyloxymethyl)propyl] pentanoate
Show more names
PentaerythritolValeratePentaerythrityl tetravalerate2,2-Bis[(valeryloxy)methyl]-1,3-propanediol divalerate2,2-Bis(pentanoyloxymethyl)propane-1,3-diol dipentanoate2,2-Bis[[(1-oxopentyl)oxy]methyl]propan-1,3-diyldivalerat2,2-Bis[(pentanoyloxy)methyl]-1,3-propanediol dipentanoate2,2-Bis((pentanoyloxy)methyl)propane-1,3-diyl dipentanoate3-pentanoyloxy-2,2-bis(pentanoyloxymethyl)propyl]pentanoate
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 24
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 471
Experimental & physicochemical properties
Polymers
Plastics -> Plasticisers
Plastics -> PUR; PVC (soft)
PlasticizersPlasticizer
Food Contact SubstancesFCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
Physical DescriptionLiquid; CBI
Physicochemical properties
- Boiling point
- 528.3 · 528.3±45.0 °C(Predicted)
- Density
- 1.038 · 1.038±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- Pentaerythritol tetravalerate (15834-04-5)
- TSCA
- TSCA listed
- REACH Registrations
- Active
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 100% (23 of 23) of all reports.
Not Classified
Aggregated GHS information provided per 23 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Pentanoic acid, 1,1'-[2,2-bis[[(1-oxopentyl)oxy]methyl]-1,3-propanediyl] ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pentanoic acid, 1,1'-[2,2-bis[[(1-oxopentyl)oxy]methyl]-1,3-propanediyl] 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)
REACH registered substance: 2,2-bis[[(1-oxopentyl)oxy]methyl]propane-1,3-diyl divalerate (EC: 239-937-7)
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
UsesPlastics -> Typical concentration range in plastic materials -> 10.0 - 35.0%
U.S. Production2023: 4,000,000 - <5,500,000 lb
Consumer UsesLubricating agent
Industry UsesPlasticizer
Use Classification
Plastics -> Plasticisers
Plastics -> Polymer Type -> PUR; PVC (soft)
General Manufacturing Information
Petroleum Lubricating Oil and Grease Manufacturing
Pentanoic acid, 1,1'-[2,2-bis[[(1-oxopentyl)oxy]methyl]-1,3-propanediyl] ester: ACTIVE
Applications
UsesPentaerythritol Tetrapentanoate is an ester plasticizer for polymers such as PVC. It is also a four polyol ester-based lubricant.
Suppliers24 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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