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

trans-Aconitic acid

Related Products

Hot Products

Name

trans-Aconitic acid

EINECS 223-688-6
CAS No. 4023-65-8 Density 1.66 g/cm3
PSA 111.90000 LogP -0.44330
Solubility Soluble in water at 20°C 400g/L. Slightly soluble in ether. Melting Point 190 °C (dec.)(lit.)
Formula C6H6O6 Boiling Point 542.6 °C at 760 mmHg
Molecular Weight 174.11 Flash Point 296 °C
Transport Information N/A Appearance White to off-white crystalline powder
Safety 24/25-37/39-36-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 4023-65-8 (TRANS-ACONITIC ACID) Hazard Symbols IrritantXi
Synonyms

1-Propene-1,2,3-tricarboxylicacid, (E)- (8CI);Aconitic acid, trans- (6CI);(1E)-Prop-1-ene-1,2,3-tricarboxylic acid;(E)-1-Propene-1,2,3-tricarboxylicacid;(E)-Aconitic acid;trans-1-Propene-1,2,3-tricarboxylic acid;

Article Data 19

trans-Aconitic acid Specification

The trans-Aconitic acid, with the CAS registry number 4023-65-8 and EINECS registry number 223-688-6, has the systematic name of (1E)-prop-1-ene-1,2,3-tricarboxylic acid. It is a kind of white to off-white crystalline powder, and belongs to the product category of Monomer. And the molecular formula of the chemical is C6H6O6.

The characteristics of trans-Aconitic acid are as followings: (1)ACD/LogP: 0.63; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 78.9 Å2; (11)Index of Refraction: 1.57; (12)Molar Refractivity: 34.44 cm3; (13)Molar Volume: 104.8 cm3; (14)Polarizability: 13.65×10-24cm3; (15)Surface Tension: 86.3 dyne/cm; (16)Density: 1.66 g/cm3; (17)Flash Point: 296 °C; (18)Enthalpy of Vaporization: 89.76 kJ/mol; (19)Boiling Point: 542.6 °C at 760 mmHg; (20)Vapour Pressure: 3.29E-13 mmHg at 25°C. 

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Avoid contact with skin and eyes, wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)\C(=C\C(=O)O)CC(=O)O
(2)InChI: InChI=1/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1+
(3)InChIKey: GTZCVFVGUGFEME-HNQUOIGGBQ

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 4023-65-8