1,3-Dioxolane-2-propanoic acid, 2-(phenylmethyl)-, 2-hydroxyethyl ester
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Basic information
- CAS
68083-99-8- Standard SMILES
O=C(CCC1(Cc2ccccc2)OCCO1)OCCO- InChIKey
ISFIHGMRNGUEGX-UHFFFAOYSA-N- Molecular formula
- C15H20O5
- Average molar mass
- 280.32 g/mol
- Monoisotopic mass
- 280.13107373
Names & identifiers
- Preferred name
- 1,3-Dioxolane-2-propanoic acid, 2-(phenylmethyl)-, 2-hydroxyethyl ester
- IUPAC
- 2-hydroxyethyl 3-(2-benzyl-1,3-dioxolan-2-yl)propanoate
- English name
- 2-hydroxyethyl 2-benzyl-1,3-dioxolane-2-propionate
- Molecular formula
- C15H20O5
- Molecular weight
- 280.32
Names & synonyms
68083-99-8Hydroxyethyl 4-ethylenedioxy-5-phenylvalerateEINECS 268-413-0Hydroxyethyl-4-ethylenedioxy-5-phenylvalerateDTXSID008871111,3-Dioxolane-2-propanoic acid, 2-(phenylmethyl)-, 2-hydroxyethyl esterRefChem:414913DTXCID1010264242-hydroxyethyl 3-(2-benzyl-1,3-dioxolan-2-yl)propanoate2-Hydroxyethyl 2-benzyl-1,3-dioxolane-2-propionateISFIHGMRNGUEGX-UHFFFAOYSA-NNS00063508
Show more names
2-(Phenylmethyl)-1,3-dioxolane-2-propanoic acid 2-hydroxyethyl ester
Database identifiers
- CAS
68083-99-8- PubChem CID
- 106526
- DTXSID
DTXSID00887111- EC Number
- 268-413-0
- Nikkaji
- J289.020H
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- EPA Substance Registry System
- 4 · Hydroxyethyl 4-ethylenedioxy-5-phenylvalerate (68083-99-8)
- 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-Dioxolane-2-propanoic acid, 2-(phenylmethyl)-, 2-hydroxyethyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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