1,3-Dioxolane-2-propanoic acid, 2-(phenylmethyl)-, methyl ester
Completing data — refresh the page later to see the latest
Basic information
- CAS
68084-00-4- Standard SMILES
COC(=O)CCC1(Cc2ccccc2)OCCO1- InChIKey
BQGGHVZNRMUBRQ-UHFFFAOYSA-N- Molecular formula
- C14H18O4
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.12050905
Names & identifiers
- Preferred name
- 1,3-Dioxolane-2-propanoic acid, 2-(phenylmethyl)-, methyl ester
- IUPAC
- methyl 3-(2-benzyl-1,3-dioxolan-2-yl)propanoate
- English name
- methyl 2-benzyl-1,3-dioxolane-2-propionate
- Molecular formula
- C14H18O4
- Molecular weight
- 250.29
Names & synonyms
68084-00-4Methyl 4-ethylenedioxy-5-phenylvalerateEINECS 268-414-6Methyl-4-ethylenedioxy-5-phenylvalerate1,3-Dioxolane-2-propanoic acid, 2-(phenylmethyl)-, methyl esterDTXSID50867741RefChem:414915DTXCID10815905Methyl 2-benzyl-1,3-dioxolane-2-propionatemethyl 3-(2-benzyl-1,3-dioxolan-2-yl)propanoateBQGGHVZNRMUBRQ-UHFFFAOYSA-NNS00063509
Show more names
2-Benzyl-1,3-dioxolane-2-propionic acid methyl ester2-(Phenylmethyl)-1,3-dioxolane-2-propanoic acid methyl ester
Database identifiers
- CAS
68084-00-4- PubChem CID
- 106527
- DTXSID
DTXSID50867741- EC Number
- 268-414-6
- Nikkaji
- J289.021F
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- Boiling point
- 334.7 · 334.7±17.0 °C(Predicted)
- Density
- 1.129 · 1.129±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 4 · Methyl 4-ethylenedioxy-5-phenylvalerate (68084-00-4)
- 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)-, methyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…