Product Name

  • Name

    4-IODOBUTYL ACETATE

  • EINECS
  • CAS No. 40596-44-9
  • Article Data17
  • CAS DataBase
  • Density 1.614 g/cm3
  • Solubility
  • Melting Point
  • Formula C6H11IO2
  • Boiling Point 233.7 °C at 760 mmHg
  • Molecular Weight 242.057
  • Flash Point 90.6 °C
  • Transport Information
  • Appearance clear dark brown liquid
  • Safety 26-36/37/39
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 40596-44-9 (4-IODOBUTYL ACETATE)
  • Hazard Symbols IrritantXi
  • Synonyms 1-Butanol,4-iodo-, acetate (6CI,9CI);4-Acetoxybutyl iodide;4-Iodo-1-butanol acetate;4-Iodobutyl acetate;
  • PSA 26.30000
  • LogP 1.76470

1-Butanol, 4-iodo-,1-acetate Specification

The 1-Butanol, 4-iodo-,1-acetate is an organic compound with the formula C6H11IO2. The IUPAC name of this chemical is 4-iodobutyl acetate. With the CAS registry number 40596-44-9, it is also named as 1-Acetoxy-4-iodobutane. Besides, it should be stored in a closed cool and dry place.

Physical properties about 1-Butanol, 4-iodo-,1-acetate are: (1)ACD/LogP: 2.19; (2)ACD/LogD (pH 5.5): 2.19; (3)ACD/LogD (pH 7.4): 2.19; (4)ACD/BCF (pH 5.5): 27.19; (5)ACD/BCF (pH 7.4): 27.19; (6)ACD/KOC (pH 5.5): 370.17; (7)ACD/KOC (pH 7.4): 370.17; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 26.3 Å2; (11)Index of Refraction: 1.506; (12)Molar Refractivity: 44.59 cm3; (13)Molar Volume: 149.8 cm3; (14)Polarizability: 17.67×10-24cm3; (15)Surface Tension: 36.9 dyne/cm; (16)Density: 1.614 g/cm3; (17)Flash Point: 90.6 °C; (18)Enthalpy of Vaporization: 47.04 kJ/mol; (19)Boiling Point: 233.7 °C at 760 mmHg; (20)Vapour Pressure: 0.0551 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. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: ICCCCOC(=O)C
(2)InChI: InChI=1/C6H11IO2/c1-6(8)9-5-3-2-4-7/h2-5H2,1H3
(3)InChIKey: FLPVVTDEKLGZDZ-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C6H11IO2/c1-6(8)9-5-3-2-4-7/h2-5H2,1H3
(5)Std. InChIKey: FLPVVTDEKLGZDZ-UHFFFAOYSA-N

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