Hexanedioic acid, ester with 2,2-dimethyl-1,3-propanediol
Basic information
- CAS
70247-79-9- Standard SMILES
CC(C)(CO)COC(=O)CCCCC(=O)O- InChIKey
UEGQJTSGVSBXCN-UHFFFAOYSA-N- Molecular formula
- C11H20O5
- Average molar mass
- 232.27 g/mol
- Monoisotopic mass
- 232.13107373
Overview
Neopentyl glycol adipate is a medium-chain fatty acid.
Names & identifiers
- Preferred name
- Hexanedioic acid, ester with 2,2-dimethyl-1,3-propanediol
- IUPAC
- 6-(3-hydroxy-2,2-dimethylpropoxy)-6-oxohexanoic acid
Names & synonyms
70247-79-9Hexanedioic acid, ester with 2,2-dimethyl-1,3-propanediolRefChem:146143DTXCID8046664DTXSID60720596-(3-hydroxy-2,2-dimethyl-propoxy)-6-oxo-hexanoic acid615-089-7Neopentyl glycol adipate856322-18-4Hexanedioic Acid 1-(3-Hydroxy-2,2-dimethylpropyl) Ester6-(3-hydroxy-2,2-dimethylpropoxy)-6-oxohexanoic acidAdipic Acid (1,4-Butanedicarboxylic Acid, Hexanedioic Acid) Ester with Neopentyl Glycol; Neopentyl Glycol Adipate (monomer)
Show more names
starbld0009814NPG-AA (LINEAR)SCHEMBL230981CHEBI:233687NS00037027
Database identifiers
- CAS
70247-79-9- PubChem CID
- 112408
- DTXSID
DTXSID6072059- ChEBI
CHEBI:233687- EC Number
- 615-089-7
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 235
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 InformationChemical: Hexanedioic acid, ester with 2,2-dimethyl-1,3-propanediol
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHexanedioic acid, ester with 2,2-dimethyl-1,3-propanediol: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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