1,3-Propanediol, 2,2-dimethyl-, 1,3-dipropanoate
Basic information
- CAS
3711-13-5- Standard SMILES
CCC(=O)OCC(C)(C)COC(=O)CC- InChIKey
XVNRPMYATPUZQL-UHFFFAOYSA-N- Molecular formula
- C11H20O4
- Average molar mass
- 216.27 g/mol
- Monoisotopic mass
- 216.13615911
Overview
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Names & identifiers
- Preferred name
- 1,3-Propanediol, 2,2-dimethyl-, 1,3-dipropanoate
- IUPAC
- (2,2-dimethyl-3-propanoyloxypropyl) propanoate
- English name
- 2,2-dimethylpropane-1,3-diyl dipropionate
- Molecular formula
- C11H20O4
- Molecular weight
- 216.2741
Names & synonyms
2,2-Dimethyl-1,3-dipropionoxypropane3711-13-5EINECS 223-057-51,3-Propanediol, 2,2-dimethyl-, dipropanoate1,3-Propanediol, 2,2-dimethyl-, 1,3-dipropanoateDTXSID80884007RefChem:72932DTXCID1010234822,2-Dimethylpropane-1,3-diyl dipropionateneopentyl glycol dipropionateSCHEMBL4663471SCHEMBL14472846
Show more names
2,2-Dimethyl-1,3-propanediol dipropionate
XVNRPMYATPUZQL-UHFFFAOYSA-N2,2-Dimethylpropane-1,3-diyl dipropanoateNS00047325
Database identifiers
- CAS
3711-13-5- PubChem CID
- 77303
- DTXSID
DTXSID80884007- EC Number
- 223-057-5
- Nikkaji
- J205.626G
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,3-Propanediol, 2,2-dimethyl-, dipropanoate (3711-13-5)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Propanediol, 2,2-dimethyl-, 1,3-dipropanoate: INACTIVE
Related reactions
0 records
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Compound notes
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