Substance
- Substance Name: octyl benzoate
- Formula: C15H22O2
- Molecular Weight: 234.33 g/mol
- Identifiers:
- inchi: InChI=1S/C15H22O2/c1-2-3-4-5-6-10-13-17-15(16)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3
- inchikey: VECVSKFWRQYTAL-UHFFFAOYSA-N
- casrn: 94-50-8
- csmiles: CCCCCCCCOC(=O)C1=CC=CC=C1
- ismiles: CCCCCCCCOC(=O)C1=CC=CC=C1
- pubchemId: 66751
- iupacname: octyl benzoate
- wikidataId: Q27894190
- chemspiderId: 60117
- dsstoxcmpId: DTXCID2048901
- chemblId: CHEMBL118062
- ecnumber: 202-339-1
octyl benzoate
Systems and Datasets
- diethylene glycol dibenzoate + octyl benzoate (Datasets: 2)
- Dataset 4 in paper 10.1021/acs.jced.8b00460 (Dataseries: 1, Datapoints: 11, Quantity: Boiling point at pressure)
- Dataset 5 in paper 10.1021/acs.jced.8b00460 (Dataseries: 1, Datapoints: 11, Quantity: Mole fraction)
- diethylene glycol dibenzoate + diethylene glycol + octyl benzoate (Datasets: 1)
- Dataset 6 in paper 10.1021/acs.jced.8b00460 (Dataseries: 1, Datapoints: 18, Quantity: Mole fraction)