Basic information
- CAS
72727-57-2- Standard SMILES
CCCCCC(C(=O)OCC)C1(C)OCCO1- InChIKey
AHEPPWIHINNDTF-UHFFFAOYSA-N- Molecular formula
- C13H24O4
- Average molar mass
- 244.33 g/mol
- Monoisotopic mass
- 244.16745924
Names & identifiers
- Preferred name
- 1,3-Dioxolane-2-acetic acid, 2-methyl-alpha-pentyl-, ethyl ester
- IUPAC
- ethyl 2-(2-methyl-1,3-dioxolan-2-yl)heptanoate
- English name
- ethyl 2-methyl-alpha-pentyl-1,3-dioxolane-2-acetate
- Molecular formula
- C13H24O4
- Molecular weight
- 244.32726
Names & synonyms
EINECS 276-790-8Ethyl 2-methyl-alpha-pentyl-1,3-dioxolane-2-acetate2-(2-Methyl-1,3-dioxolan-2-yl)heptanoic acid, ethyl esterDTXSID908881721,3-Dioxolane-2-acetic acid, 2-methyl-.alpha.-pentyl-, ethyl ester1,3-Dioxolane-2-acetic acid, 2-methyl-alpha-pentyl-, ethyl esterRefChem:72803DTXCID301027454276-790-8ethyl 2-(2-methyl-1,3-dioxolan-2-yl)heptanoate72727-57-2KQX2LAJ6UN
Show more names
2-Methyl-α-pentyl-1,3-dioxolane-2-acetic acid ethyl ester
AHEPPWIHINNDTF-UHFFFAOYSA-NNS000620581,3-Dioxolane-2-acetic acid,2-methyl-alpha-pentyl-,ethyl ester
Database identifiers
- CAS
72727-57-2- PubChem CID
- 175122
- DTXSID
DTXSID90888172- UNII
- KQX2LAJ6UN
- EC Number
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,3-Dioxolane-2-acetic acid, 2-methyl-.alpha.-pentyl-, ethyl ester (72727-57-2)
- 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 InformationChemical: 1,3-Dioxolane-2-acetic acid, 2-methyl-.alpha.-pentyl-, ethyl ester
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 Information1,3-Dioxolane-2-acetic acid, 2-methyl-.alpha.-pentyl-, ethyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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