Trimethyl pentane-1,3,5-tricarboxylate supplier

Name
TRIMETHYL PENTANE-1,3,5-TRICARBOXYLATE
EINECS
CAS No. 5464-63-1
Density 1.115 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₈O₆
Boiling Point 281.076 °C at 760 mmHg
Molecular Weight 246.26
Flash Point 116.841 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,3,5-Pentanetricarboxylic acid, trimethyl ester (6CI,9CI);Trimethyl 1,3,5-pentanetricarboxylate;1,3,5-Trimethyl pentane-1,3,5-tricarboxylate;
PSA 78.90000
LogP 0.68200

Trimethyl pentane-1,3,5-tricarboxylate Specification

The 1,3,5-Pentanetricarboxylic acid, 1,3,5-trimethyl ester, with the CAS registry number 5464-63-1, is also known as 1,3,5-Trimethyl pentane-1,3,5-tricarboxylate. This chemical's molecular formula is C₁₁H₁₈O₆ and molecular weight is 246.26. What's more, its systematic name is Trimethyl 1,3,5-pentanetricarboxylate.

Physical properties of 1,3,5-Pentanetricarboxylic acid, 1,3,5-trimethyl ester are: (1)ACD/LogP: 0.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.71; (4)ACD/LogD (pH 7.4): 0.71; (5)ACD/BCF (pH 5.5): 2.04; (6)ACD/BCF (pH 7.4): 2.04; (7)ACD/KOC (pH 5.5): 57.96; (8)ACD/KOC (pH 7.4): 57.96; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 78.9 Å²; (13)Index of Refraction: 1.441; (14)Molar Refractivity: 58.294 cm³; (15)Molar Volume: 220.933 cm³; (16)Polarizability: 23.109×10^-24cm³; (17)Surface Tension: 36.05 dyne/cm; (18)Density: 1.115 g/cm³; (19)Flash Point: 116.841 °C; (20)Enthalpy of Vaporization: 51.985 kJ/mol; (21)Boiling Point: 281.076 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)CCC(C(=O)OC)CCC(=O)OC
(2)Std. InChI: InChI=1S/C11H18O6/c1-15-9(12)6-4-8(11(14)17-3)5-7-10(13)16-2/h8H,4-7H2,1-3H3
(3)Std. InChIKey: BAWAMGSZOXWVIB-UHFFFAOYSA-N

Product Name

TRIMETHYL PENTANE-1,3,5-TRICARBOXYLATE

Trimethyl pentane-1,3,5-tricarboxylate Specification

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