Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Decanoic acid, mixed esters with hexanoic acid, octanoic acid, pentaerythritol and valeric acid
RN: 70776-02-2
InChIKey: XHVYDBZZZRKMFL-UHFFFAOYSA-N

Classification Code

  • TSCA UVCB

Molecular Formula

  • C10-H20-O2.C8-H16-O2.C6-H12-O2.C5-H12-O4.C5-H10-O2

Molecular Weight

  • 598.8558
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 1,3-Propanediol, 2,2-bis(hydroxymethyl)-, pentanoate, hexanoate, octanoate, decanoate
  • Decanoic acid mixed esters with hexanoic acid octanoic acid pentaerythritol and valeric acid

Systematic Name

  • Decanoic acid, mixed esters with hexanoic acid, octanoic acid, pentaerythritol and valeric acid

Registry Numbers

CAS Registry Number

  • 70776-02-2

System Generated Number

  • 0070776022

Molecular Formulas

Molecular Formula

  • C10-H20-O2.C8-H16-O2.C6-H12-O2.C5-H12-O4.C5-H10-O2

Molecular Formula Fragments

  • C10-H20-O2
  • C5-H10-O2
  • C5-H12-O4
  • C6-H12-O2
  • C8-H16-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C34H62O8/c1-5-9-13-15-16-18-21-25-33(38)42-29-34(26-39-30(35)22-12-8-4,27-40-31(36)23-19-11-7-3)28-41-32(37)24-20-17-14-10-6-2/h5-29H2,1-4H3

InChIKey

XHVYDBZZZRKMFL-UHFFFAOYSA-N

Smiles

CCCCCCCCCC(=O)OCC(COC(=O)CCCC)(COC(=O)CCCCC)COC(=O)CCCCCCC