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

Methyl 3,5-dioxohexanoate

Related Products

Hot Products

Name

Methyl 3,5-dioxohexanoate

EINECS N/A
CAS No. 29736-80-9 Density 1.115 g/cm3
PSA 60.44000 LogP 0.09770
Solubility N/A Melting Point N/A
Formula C7H10O4 Boiling Point 221.6 °C at 760 mmHg
Molecular Weight 158.154 Flash Point 89.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 29736-80-9 (Methyl 3,5-dioxohexanoate) Hazard Symbols N/A
Synonyms

3,5-Dioxohexanoic acid methyl ester;hexanoic acid, 3,5-dioxo-, methyl ester;

Article Data 3

Methyl 3,5-dioxohexanoate Specification

The Methyl 3,5-dioxohexanoate, with the CAS registry number 29736-80-9, is also called hexanoic acid, 3,5-dioxo-, methyl ester. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C7H10O4.

The characteristics of Methyl 3,5-dioxohexanoate are as followings: (1)ACD/LogP: 1.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.21; (4)ACD/LogD (pH 7.4): 1.17; (5)ACD/BCF (pH 5.5): 4.92; (6)ACD/BCF (pH 7.4): 4.41; (7)ACD/KOC (pH 5.5): 108.77; (8)ACD/KOC (pH 7.4): 97.68; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 60.44 Å2; (13)Index of Refraction: 1.425; (14)Molar Refractivity: 36.31 cm3; (15)Molar Volume: 141.8 cm3; (16)Polarizability: 14.39×10-24cm3; (17)Surface Tension: 35.2 dyne/cm; (18)Density: 1.115 g/cm3; (19)Flash Point: 89.8 °C; (20)Enthalpy of Vaporization: 45.81 kJ/mol; (21)Boiling Point: 221.6 °C at 760 mmHg; (22)Vapour Pressure: 0.106 mmHg at 25°C.  

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(CC(=O)C)CC(=O)OC
(2)InChI: InChI=1/C7H10O4/c1-5(8)3-6(9)4-7(10)11-2/h3-4H2,1-2H3
(3)InChIKey: JUKCTOHWTHYRPF-UHFFFAOYAX

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 29736-80-9