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Hexanedioic acid, 3-methyl-, (3R)-

  • Name Hexanedioic acid, 3-methyl-, (3R)-
  • EINECS210-816-0
  • CAS No. 623-82-5
  • Density1.197 g/cm3
  • PSA74.60000
  • LogP0.96200
  • SolubilityN/A
  • Melting Point81-84 °C(lit.)
  • FormulaC7H12O4
  • Boiling Point341.4 °C at 760 mmHg
  • Molecular Weight160.17
  • Flash Point170.6 °C
  • Transport InformationN/A
  • Appearancewhite to light yellow powder
  • Safety26-36
  • Risk Codes36/37/38
  • Molecular Structure
    Molecular Structure of 623-82-5 ((+)-3-METHYLHEXANEDIOIC ACID)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data28

Hexanedioic acid, 3-methyl-, (3R)- Specification

This chemical is called Hexanedioic acid, 3-methyl-, (3R)-, and its CAS registry number is 160.17. With the molecular formula of C7H12O4, its molecular weight is 160.17. 

Other characteristics of the Hexanedioic acid, 3-methyl-, (3R)- can be summarised as followings: (1)ACD/LogP: 0.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.24; (4)ACD/LogD (pH 7.4): -4.2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.473; (14)Molar Refractivity: 37.56 cm3; (15)Molar Volume: 133.7 cm3; (16)Polarizability: 14.89×10-24cm3; (17)Surface Tension: 47.8 dyne/cm; (18)Density: 1.197 g/cm3; (19)Flash Point: 170.6 °C; (20)Enthalpy of Vaporization: 64.29 kJ/mol; (21)Boiling Point: 341.4 °C at 760 mmHg; (22)Vapour Pressure: 1.47E-05 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. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(O)CC[C@H](CC(=O)O)C
2.InChI: InChI=1/C7H12O4/c1-5(4-7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11)/t5-/m1/s1
3.InChIKey: SYEOWUNSTUDKGM-RXMQYKEDBU

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