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

3-Hydroxy-2-butanone dimer

Related Products

Hot Products

Name

3-Hydroxy-2-butanone dimer

EINECS 245-457-9
CAS No. 23147-57-1 Density 1.105 g/cm3
PSA 58.92000 LogP 0.22720
Solubility N/A Melting Point 90-91°C
Formula C8H16O4 Boiling Point 279.7 °C at 760 mmHg
Molecular Weight 176.213 Flash Point 122.9 °C
Transport Information N/A Appearance N/A
Safety 16 Risk Codes 11
Molecular Structure Molecular Structure of 23147-57-1 (3-Hydroxy-2-butanone dimer) Hazard Symbols N/A
Synonyms

p-Dioxane-2,5-diol,2,3,5,6-tetramethyl- (8CI);2,3,5,6-Tetramethyl-1,4-dioxane-2,5-diol;2,3,5,6-tetramethyl-1,4-dioxane-2,5-diol;1,4-dioxane-2,5-diol, 2,3,5,6-tetramethyl-;

Article Data 1

3-Hydroxy-2-butanone dimer Specification

The 3-Hydroxy-2-butanone dimer, with the CAS registry number 23147-57-1 and EINECS registry number 245-457-9, has the systematic name and IUPAC name of 2,3,5,6-tetramethyl-1,4-dioxane-2,5-diol. It is a kind of highly flammable chemical, so you should keep away from sources of ignition, and no smoking. What's more, it belongs to the product category of Ring Systems. And the molecular formula of the chemical is C8H16O4.

The characteristics of 3-Hydroxy-2-butanone dimer are as followings: (1)ACD/LogP: 1.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.31; (4)ACD/LogD (pH 7.4): 1.31; (5)ACD/BCF (pH 5.5): 5.85; (6)ACD/BCF (pH 7.4): 5.85; (7)ACD/KOC (pH 5.5): 123.31; (8)ACD/KOC (pH 7.4): 123.31; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 36.92 Å2; (13)Index of Refraction: 1.458; (14)Molar Refractivity: 43.48 cm3; (15)Molar Volume: 159.3 cm3; (16)Polarizability: 17.23×10-24cm3; (17)Surface Tension: 35.4 dyne/cm; (18)Density: 1.105 g/cm3; (19)Flash Point: 122.9 °C; (20)Enthalpy of Vaporization: 60.17 kJ/mol; (21)Boiling Point: 279.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000479 mmHg at 25°C.

Preparation of 3-Hydroxy-2-butanone dimer: This chemical can be prepared by 2,5-dihydroxy-2,3,5,6-tetramethyl-1,4-dioxane and phenylmethanol. The reaction will need reagent conc. HCl, and the menstruum toluene. The reaction time is 45 minutes with heating, and the yield is about 59%. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC1(OC(C(OC1C)(O)C)C)C
(2)InChI: InChI=1/C8H16O4/c1-5-7(3,9)12-6(2)8(4,10)11-5/h5-6,9-10H,1-4H3
(3)InChIKey: DFMGATPNJMFDCR-UHFFFAOYAA

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 23147-57-1