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

Pentaerythrityl distearate

Related Products

Hot Products

Name

Pentaerythrityl distearate

EINECS 235-991-0
CAS No. 13081-97-5 Density 0.945 g/cm3
PSA 93.06000 LogP 11.56680
Solubility N/A Melting Point 72 °C
Formula C41H80O6 Boiling Point 680.8 °C at 760 mmHg
Molecular Weight 669.083 Flash Point 183.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 13081-97-5 (PENTAERYTHRITOL DISTEARATE) Hazard Symbols N/A
Synonyms

Stearic acid, 2,2-bis(hydroxymethyl)trimethyleneester (6CI,7CI,8CI);Pentaerythritol, distearate (8CI);Atmer 182;Cutina PES;KB 1-15;KB 110;KB 110 (bulking agent);KB 115;Nissan Unister H 476D;Pentaerythrityl distearate;Unister H 476D;

Article Data 3

Pentaerythrityl distearate Synthetic route

115-77-5

Pentaerythritol

57-11-4

stearic acid

13081-97-5

O,O'-distearoyl-pentaerythritol

Conditions
ConditionsYield
at 215℃;
With tin(ll) chloride at 150 - 220℃; for 2.5h; Reagent/catalyst; Temperature;
O,O'-benzylidene-O'',O'''-distearoyl-pentaerythritol

O,O'-benzylidene-O'',O'''-distearoyl-pentaerythritol

13081-97-5

O,O'-distearoyl-pentaerythritol

Conditions
ConditionsYield
With ethanol; palladium Hydrogenation;
13081-97-5

O,O'-distearoyl-pentaerythritol

C59H116O13P2

Conditions
ConditionsYield
With phosphoric acid; triethyl phosphite at 100 - 200℃; for 2.5h; Inert atmosphere;

Pentaerythrityl distearate Specification

The Octadecanoic acid,1,1'-[2,2-bis(hydroxymethyl)-1,3-propanediyl] ester, with the CAS registry number 13081-97-5, is also known as 2,2-Bis(hydroxymethyl)propane-1,3-diyl dioctadecanoate. Its EINECS registry number is 235-991-0. This chemical's molecular formula is C41H80O6 and molecular weight is 669.07. What's more, its IUPAC name is called [2,2-Bis(hydroxymethyl)-3-octadecanoyloxypropyl] octadecanoate.

Physical properties about Octadecanoic acid,1,1'-[2,2-bis(hydroxymethyl)-1,3-propanediyl] ester are: (1)ACD/LogP: 16.80; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 16.8; (4)ACD/LogD (pH 7.4): 16.8; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 42; (12)Polar Surface Area: 71.06 Å2; (13)Index of Refraction: 1.473; (14)Molar Refractivity: 198.58 cm3; (15)Molar Volume: 707.3 cm3; (16)Surface Tension: 36.7 dyne/cm; (17)Density: 0.945 g/cm3; (18)Flash Point: 183.7 °C; (19)Enthalpy of Vaporization: 114.27 kJ/mol; (20)Boiling Point: 680.8 °C at 760 mmHg; (21)Vapour Pressure: 1.82E-21 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC(COC(=O)CCCCCCCCCCCCCCCCC)(CO)CO)CCCCCCCCCCCCCCCCC
(2) InChI: InChI=1S/C41H80O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)46-37-41(35-42,36-43)38-47-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h42-43H,3-38H2,1-2H3
(3) InChIKey: FSEJJKIPRNUIFL-UHFFFAOYSA-N

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 13081-97-5