1,3-Benzodioxole-5-carboxylic acid, ethyl ester
Completing data — refresh the page later to see the latest
Basic information
- CAS
6951-08-2- Standard SMILES
CCOC(=O)c1ccc2c(c1)OCO2- InChIKey
JGHXNKLHSHDHDG-UHFFFAOYSA-N- Molecular formula
- C10H10O4
- Average molar mass
- 194.18 g/mol
- Monoisotopic mass
- 194.0579088
Names & identifiers
- Preferred name
- 1,3-Benzodioxole-5-carboxylic acid, ethyl ester
- IUPAC
- ethyl 1,3-benzodioxole-5-carboxylate
- English name
- 1,3-Benzodioxole-5-carboxylic acid ethyl ester
- Molecular formula
- C10H10O4
- Molecular weight
- 194.18
Names & synonyms
6951-08-2Piperonylic acid, ethyl esterEthyl 3,4-(methylenedioxy)benzoate1,3-Benzodioxole-5-carboxylic acid, ethyl esterAI3-03815EINECS 230-125-8NSC 49217RefChem:413850Ethyl benzo[d][1,3]dioxole-5-carboxylateethyl 1,3-benzodioxole-5-carboxylateEthyl piperonylate1,3-BENZODIOXOLE-5-CARBOXYLIC ACID ETHYL ESTER
Show more names
ethyl 2H-1,3-benzodioxole-5-carboxylateMFCD00798034NSC-49217Ethylbenzo[d][1,3]dioxole-5-carboxylate6RW78ZBY4KSCHEMBL1640023DTXSID7052440SCHEMBL29394052
Database identifiers
- CAS
6951-08-2- PubChem CID
- 81391
- DTXSID
DTXSID7052440- UNII
- 6RW78ZBY4K
- EC Number
- 230-125-8
- Nikkaji
- J265.989A
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
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Melting point
- 18.5 °C · 18.5°C
- Boiling point
- 285.5 °C · 285.5°C (estimate)
- Density
- 1.2534 · 1.2534 (rough estimate)
- refractive index
- 1.543 · 1.5430 (estimate)
- LogP
- 1.885 · 1.885 (est)
- FDA UNII
- 6 RW78ZBY4K · 6RW78ZBY4K
- EPA Substance Registry System
- 1 · 1,3-Benzodioxole-5-carboxylic acid, ethyl ester (6951-08-2)
- 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-Benzodioxole-5-carboxylic acid, 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-Benzodioxole-5-carboxylic acid, ethyl ester: INACTIVE
Related reactions
2 records
Compound notes
Loading…