CAS No.3184-35-8,2-OXOADIPIC ACID, 98 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3184-35-8
Name:	2-OXOADIPIC ACID, 98
Article Data:	19

Formula:	C₆H₈O₅
Molecular Weight:	160.127
Synonyms:	2-Ketoadipicacid;2-Oxoadipic acid;α-Ketoadipic acid;α-Oxoadipic acid;
Density:	1.405 g/cm³
Melting Point:	123-125 °C
Boiling Point:	364.259 °C at 760 mmHg
Flash Point:	188.283 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	91.67000
LogP:	-0.10500

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Specification

The 2-Oxohexanedioic acid, with the CAS registry number 3184-35-8, is also known as α-Ketoadipic acid. It belongs to the product categories of Building Blocks; C6; Carbonyl Compounds; Carboxylic Acids; Chemical Synthesis; Organic Building Blocks. This chemical's molecular formula is C₆H₈O₅ and molecular weight is 160.12. What's more, its systematic name is 2-Oxohexanedioic acid.

Physical properties of 2-Oxohexanedioic acid are: (1)ACD/LogP: -1.446; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.24; (4)ACD/LogD (pH 7.4): -6.19; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 91.67 Å²; (13)Index of Refraction: 1.491; (14)Molar Refractivity: 33.005 cm³; (15)Molar Volume: 113.947 cm³; (16)Polarizability: 13.084×10^-24cm³; (17)Surface Tension: 61.8 dyne/cm; (18)Density: 1.405 g/cm³; (19)Flash Point: 188.283 °C; (20)Enthalpy of Vaporization: 67.046 kJ/mol; (21)Boiling Point: 364.259 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C(=O)O)CCCC(=O)O
(2)Std. InChI: InChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11)
(3)Std. InChIKey: FGSBNBBHOZHUBO-UHFFFAOYSA-N