Basic information
- CAS
13784-61-7- Standard SMILES
CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC- InChIKey
MXNODNKXIIQMMI-UHFFFAOYSA-N- Molecular formula
- C45H84O8
- Average molar mass
- 753.1 g/mol
- Monoisotopic mass
- 752.61661963
Names & identifiers
- Preferred name
- Pentaerythrityl tetracaprate
- IUPAC
- [3-decanoyloxy-2,2-bis(decanoyloxymethyl)propyl] decanoate
- English name
- 2,2-bis[[(1-oxodecyl)oxy]methyl]-1,3-propanediyl didecanoate
- Molecular formula
- C45H84O8
- Molecular weight
- 753.14366
Names & synonyms
pentaerythrityl tetracaprate13784-61-7Pentaerythritol tetracapratePentaerythritol tetradecanoateDecanoic acid, neopentanetetrayl esterPentaerythritol, tetrakis(decanoate)EINECS 237-441-58F4496127KDTXSID80864440Decanoic acid, 2,2-bis(((1-oxodecyl)oxy)methyl)-1,3-propanediyl esterDecanoic acid, 2,2-bis[[(1-oxodecyl)oxy]methyl]-1,3-propanediyl esterDecanoic acid, 1,1'-(2,2-bis(((1-oxodecyl)oxy)methyl)-1,3-propanediyl) ester
Show more names
Pentaerythritol tetrakisdecanoate2,2-Bis[(decanoyloxy)methyl]-1,3-propanediol didecanoate2,2-Bis[[(1-oxodecyl)oxy]methyl]-1,3-propandiyldidecanoat
DECANOIC ACID, TETRAESTER WITH PENTAERYTHRITOLDecanoic acid, 1,1'-[2,2-bis[[(1-oxodecyl)oxy]methyl]-1,3-propanediyl] esterRefChem:859775DTXCID30812956Decanoic acid, 2,2-bis(1-oxodecyl)oxymethyl-1,3-propanediyl ester[3-decanoyloxy-2,2-bis(decanoyloxymethyl)propyl] decanoate2,2-Bis((decanoyloxy)methyl)propane-1,3-diyl bis(decanoate)2,2-BIS[[(1-OXODECYL)OXY]METHYL]-1,3-PROPANEDIYL DIDECANOATE
Properties
Computed structural properties
- XLogP
- 16.2
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 44
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 731
Physicochemical properties
- Boiling point
- 737.1 · 737.1±55.0 °C(Predicted)
- Density
- 0.959 · 0.959±0.06 g/cm3(Predicted)
- FDA UNII
- 8 F4496127K · 8F4496127K
- EPA Substance Registry System
- Pentaerythritol tetradecanoate (13784-61-7)
- 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.
Hazard information
Regulatory Information
Chemical: Decanoic acid, 2,2-bis[[(1-oxodecyl)oxy]methyl]-1,3-propanediyl ester
Decanoic acid, 2,2-bis(1-oxodecyl)oxymethyl-1,3-propanediyl ester: 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.
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationDecanoic acid, 1,1'-[2,2-bis[[(1-oxodecyl)oxy]methyl]-1,3-propanediyl] ester: INACTIVE
Suppliers5 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
安那莱（齐河）新材料科技有限公司18600642180（微信同） 13391601435 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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