Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Propyl hexanoate

Related Products

Hot Products

Name

Propyl hexanoate

EINECS 210-963-0
CAS No. 626-77-7 Density 0.876 g/cm3
PSA 26.30000 LogP 2.51990
Solubility N/A Melting Point -69 °C(lit.)
Formula C9H18O2 Boiling Point 188.1 °C at 760 mmHg
Molecular Weight 158.241 Flash Point 51.7 °C
Transport Information UN 3272 3/PG 3 Appearance Colorless to pale yellow liquid with pineapple odor
Safety 16 Risk Codes 10
Molecular Structure Molecular Structure of 626-77-7 (Caproic acid propyl ester) Hazard Symbols R10:;
Synonyms

1-Propyln-caproate;NSC 53784;Propyl caproate;

Article Data 16

Propyl hexanoate Specification

The Hexanoic acid, propylester, with the CAS registry number 626-77-7 and EINECS registry number 210-963-0, has the systematic and IUPAC name of propyl hexanoate. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C9H18O2. What's more, while dealing with this flammale chemical, you should remenber: Keep it away from sources of ignition - No smoking.

The characteristics of Hexanoic acid, propylester are as followings: (1)ACD/LogP: 3.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.37; (4)ACD/LogD (pH 7.4): 3.37; (5)ACD/BCF (pH 5.5): 212.56; (6)ACD/BCF (pH 7.4): 212.56; (7)ACD/KOC (pH 5.5): 1612.92; (8)ACD/KOC (pH 7.4): 1612.92; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.418; (14)Molar Refractivity: 45.51 cm3; (15)Molar Volume: 180.5 cm3; (16)Polarizability: 18.04×10-24cm3; (17)Surface Tension: 27.8 dyne/cm; (18)Density: 0.876 g/cm3; (19)Flash Point: 51.7 °C; (20)Enthalpy of Vaporization: 42.43 kJ/mol; (21)Boiling Point: 188.1 °C at 760 mmHg; (22)Vapour Pressure: 0.608 mmHg at 25°C. 

Preparation of Hexanoic acid, propylester: This chemical can be prepared by hexanoic acid and propan-1-ol. The reaction will need reagent H2SO4, and the menstruum dioxane. The reaction temperature is 60°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCCC)CCCCC
(2)InChI: InChI=1/C9H18O2/c1-3-5-6-7-9(10)11-8-4-2/h3-8H2,1-2H3
(3)InChIKey: HTUIWRWYYVBCFT-UHFFFAOYAY

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 626-77-7