Basic information
- Name:
Benzoic acid, propylester
- CAS No.:
2315-68-6
- Molecular Structure:
- Formula:
- C10H12O2
- Molecular Weight:
- 164.20
- Synonyms:
- NSC 229333;n-Propyl benzoate;Propyl benzoate;
- EINECS:
- 219-020-8
- Density:
- 1.024 g/cm3
- Melting Point:
- -51 °C
- Boiling Point:
- 231.389 °C at 760 mmHg
- Flash Point:
- 97.237 °C
- Appearance:
- Clear colorless liquid
- Safety Description:
- 24/25 Details
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Specification
The Benzoic acid, propylester, with the CAS registry number 2315-68-6, is also known as n-Propyl benzoate. It belongs to the product categories of Organics; C10 to C11; Carbonyl Compounds; Esters. Its EINECS registry number is 219-020-8. This chemical's molecular formula is C10H12O2 and molecular weight is 164.2. Its IUPAC name is called propyl benzoate. When you are using this chemical, please be cautious about it. You must avoid contacting it with skin and eyes.
Physical properties of Benzoic acid, propylester: (1)ACD/LogP: 3.26; (2)ACD/LogD (pH 5.5): 3.26; (3)ACD/LogD (pH 7.4): 3.26; (4)ACD/BCF (pH 5.5): 176.43; (5)ACD/BCF (pH 7.4): 176.43; (6)ACD/KOC (pH 5.5): 1411.58; (7)ACD/KOC (pH 7.4): 1411.58; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.501; (11)Molar Refractivity: 47.29 cm3; (12)Molar Volume: 160.3 cm3; (13)Surface Tension: 35.6 dyne/cm; (14)Density: 1.024 g/cm3; (15)Flash Point: 97.2 °C; (16)Enthalpy of Vaporization: 46.81 kJ/mol; (17)Boiling Point: 231.4 °C at 760 mmHg; (18)Vapour Pressure: 0.0625 mmHg at 25°C.
Preparation: this chemical can be prepared by benzaldehyde and propan-1-ol. This reaction will need reagent vanadium pentoxide, sodium percarbonate and perchloric acid. The yield is about 88%.
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You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCOC(=O)C1=CC=CC=C1
(2)InChI: InChI=1S/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
(3)InChIKey: UDEWPOVQBGFNGE-UHFFFAOYSA-N
