Pentanoic acid, propylester supplier

Name
PROPYL VALERATE
EINECS 205-452-4
CAS No. 141-06-0
Article Data11
CAS DataBase
Density 0.878 g/cm³
Solubility
Melting Point -70.7°C
Formula C₈H₁₆O₂
Boiling Point 168.7 °C at 760 mmHg
Molecular Weight 144.214
Flash Point 52.4 °C
Transport Information UN 1993 3/PG 3
Appearance
Safety 16
Risk Codes 10
Molecular Structure
Hazard Symbols
Synonyms Valericacid, propyl ester (6CI,7CI,8CI);NSC 57638;Propyl pentanoate;Propylvalerate;n-Propyl n-valerate;
PSA 26.30000
LogP 2.12980

Pentanoic acid, propylester Specification

The Pentanoic acid, propylester, with the CAS registry number 141-06-0, is also known as Propyl valerate. Its EINECS registry number is 205-452-4. This chemical's molecular formula is C₈H₁₆O₂ and molecular weight is 144.21. What's more, both its IUPAC name and systematic name are the same which is called Propyl pentanoate. This chemical can be prepared by Pentanoic acid with Propanol ester. It is used as solvent, spices prepared and organic Intermediate. When you are dealing with this chemical, you should be very careful. This chemical is flammable. Therefore, you should keep it away from sources of ignition.

Physical properties about Pentanoic acid, propylester are: (1)ACD/LogP: 2.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.83; (4)ACD/LogD (pH 7.4): 2.83; (5)ACD/BCF (pH 5.5): 83.88; (6)ACD/BCF (pH 7.4): 83.88; (7)ACD/KOC (pH 5.5): 829.01; (8)ACD/KOC (pH 7.4): 829.01; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.412; (14)Molar Refractivity: 40.88 cm³; (15)Molar Volume: 164 cm³; (16)Surface Tension: 27.3 dyne/cm; (17)Density: 0.878 g/cm³; (18)Flash Point: 52.4 °C; (19)Enthalpy of Vaporization: 40.51 kJ/mol; (20)Boiling Point: 168.7 °C at 760 mmHg; (21)Vapour Pressure: 1.6 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCCC)CCCC
(2) InChI: InChI=1S/C8H16O2/c1-3-5-6-8(9)10-7-4-2/h3-7H2,1-2H3
(3) InChIKey: ROJKPKOYARNFNB-UHFFFAOYSA-N

Product Name

PROPYL VALERATE

Pentanoic acid, propylester Specification

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