Product Name

  • Name

    Isobutyl furfurylacetate

  • EINECS 203-261-0
  • CAS No. 105-01-1
  • Article Data1
  • CAS DataBase
  • Density 1.025 g/cm3
  • Solubility
  • Melting Point
  • Formula C11H16O3
  • Boiling Point 247.994 °C at 760 mmHg
  • Molecular Weight 196.246
  • Flash Point 106.612 °C
  • Transport Information
  • Appearance
  • Safety 28-36/37-45
  • Risk Codes 22-27
  • Molecular Structure Molecular Structure of 105-01-1 (Isobutyl furfurylacetate)
  • Hazard Symbols T+
  • Synonyms 2-Furanpropionicacid, isobutyl ester (8CI);Isobutyl 2-furanpropionate;Isobutylfurylpropionate;
  • PSA 39.44000
  • LogP 2.41140

Synthetic route

2-Methyl-benzoic acid 2-(2-isobutoxycarbonyl-ethyl)-2-methyl-[1,3]dioxolan-4-yl ester
99968-26-0

2-Methyl-benzoic acid 2-(2-isobutoxycarbonyl-ethyl)-2-methyl-[1,3]dioxolan-4-yl ester

A

3-(2-Furyl)propansaeure-isobutylester
105-01-1

3-(2-Furyl)propansaeure-isobutylester

B

(2-Methyl-3-furyl)essigsaeure-isobutylester
99968-32-8

(2-Methyl-3-furyl)essigsaeure-isobutylester

Conditions
ConditionsYield
at 230 - 250℃; under 10 - 15 Torr;A 37%
B 31%
3-(2-Furyl)propansaeure-isobutylester
105-01-1

3-(2-Furyl)propansaeure-isobutylester

ethyl iodide
75-03-6

ethyl iodide

3-Ethyl-1-(2-furyl)-3-pentanol
91965-48-9

3-Ethyl-1-(2-furyl)-3-pentanol

Conditions
ConditionsYield
With magnesium 1.) diethyl ether; 2.) 24 h, reflux; Yield given. Multistep reaction;
3-(2-Furyl)propansaeure-isobutylester
105-01-1

3-(2-Furyl)propansaeure-isobutylester

methyl iodide
74-88-4

methyl iodide

4-(2-Furyl)-2-methyl-2-butanol
90611-72-6

4-(2-Furyl)-2-methyl-2-butanol

Conditions
ConditionsYield
With magnesium 1.) diethyl ether; 2.) 24 h, reflux; Yield given. Multistep reaction;

Isobutyl furfurylacetate Chemical Properties

Product Name: Isobutyl furfurylacetate (CAS NO.105-01-1)


Molecular Formula: C11H16O3
Molecular Weight: 196.24g/mol
Mol File: 105-01-1.mol
Einecs: 203-261-0
Boiling point: 248 °C at 760 mmHg
Flash Point: 106.6 °C
Density: 1.025 g/cm3
Surface Tension: 33 dyne/cm
Enthalpy of Vaporization: 48.52 kJ/mol
Vapour Pressure: 0.0249 mmHg at 25°C
XLogP3: 2.3
H-Bond Donor: 0
H-Bond Acceptor: 3

Isobutyl furfurylacetate Uses

 Isobutyl furfurylacetate (CAS NO.105-01-1) was allowed the use of the provisions of the food with spices.

Isobutyl furfurylacetate Production

 Isobutyl furfurylacetate (CAS NO.105-01-1) is from 2 - furan-propionic acid and iso-butanol formed by direct esterification.

Isobutyl furfurylacetate Toxicity Data With Reference

1.    

skn-rbt 500 mg/24H MLD

    FCTXAV    Food and Cosmetics Toxicology. 17 (1979),835.
2.    

orl-rat LD50:1950 mg/kg

    FCTXAV    Food and Cosmetics Toxicology. 17 (1979),835.
3.    

skn-rbt LD50:2000 mg/kg

    FCTXAV    Food and Cosmetics Toxicology. 17 (1979),835.

Isobutyl furfurylacetate Consensus Reports

Reported in EPA TSCA Inventory.

Isobutyl furfurylacetate Safety Profile

Moderately toxic by ingestion and skin contact. A skin irritant. A combustible liquid. When heated to decomposition it emits acrid smoke and fumes. See also ESTERS.

Isobutyl furfurylacetate Specification

 Isobutyl furfurylacetate ,its CAS NO. is 105-01-1,the synonyms is 2-Furanpropanoicacid,2-methylpropylester ; Isobutyl-2-furanpropionate ; Isobutylfuran-2 ; Isobutylfuran-2-propionate ; 2-Furanpropionic acid:isobutyl ester ;Isobutyl furyl propionate ; Fema 2198 ; Isobutyl3-(2-furan)propionate .

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