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Isobutyl acetate

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Isobutyl acetate

EINECS 203-745-1
CAS No. 110-19-0 Density 0.883 g/cm3
Solubility 7 g/L (20 °C) in water Melting Point -99 °C
Formula C6H12O2 Boiling Point 116.6 °C at 760 mmHg
Molecular Weight 116.16 Flash Point 21.7 °C
Transport Information UN 1213 3/PG 2 Appearance clear colorless liquid
Safety 16-23-25-29-33 Risk Codes 11-66
Molecular Structure Molecular Structure of 110-19-0 (Isobutyl acetate) Hazard Symbols FlammableF
Synonyms

Aceticacid, isobutyl ester (6CI,8CI);2-Methylpropyl acetate;b-Methylpropyl ethanoate;

 

Isobutyl acetate Chemical Properties

Molecular Structure of Isobutyl acetate (CAS NO.110-19-0):

IUPAC Name: 2-methylpropyl acetate 
Empirical Formula: C6H12O2
Molecular Weight: 116.1583
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 26.3 Å2
Index of Refraction: 1.395
Molar Refractivity: 31.57 cm3
Molar Volume: 131.4 cm3
Surface Tension: 24.6 dyne/cm
Density: 0.883 g/cm3
Flash Point: 21.7 °C
Enthalpy of Vaporization: 35.5 kJ/mol
Boiling Point: 116.6 °C at 760 mmHg
Vapour Pressure: 18 mmHg at 25°C
CAS Registry Number  110-19-0
EINECS: 203-745-1
Melting point: -99°C
Water solubility: 7 g/L (20 oC)
InChI
InChI=1/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3
Smiles
C(COC(C)=O)(C)C
Product Categories: ester Flavor; Alpha Sort; Alphabetic; Chemical Class; E-LAnalytical Standards; EstersAnalytical Standards; I; Volatiles/ Semivolatiles; Alphabetical Listings; Certified Natural ProductsFlavors and Fragrances; Flavors and Fragrances; I-L

Isobutyl acetate Toxicity Data With Reference

1.    

skn-rbt 500 mg open MLD

    UCDS**    Union Carbide Data Sheet. (Industrial Medicine and Toxicology Dept., Union Carbide Corp., 270 Park Ave., New York, NY 10017) 11/3 ,1971.
2.    

skn-rbt 500 mg/24H MOD

    FCTXAV    Food and Cosmetics Toxicology. 16 (1978),637.
3.    

eye-rbt 500 mg/24H MOD

    FCTXAV    Food and Cosmetics Toxicology. 16 (1978),637.
4.    

orl-rat LD50:13,400 mg/kg

    NPIRI*    Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. 1 (1974),8.
5.    

ihl-rat LCLo:8000 ppm/4H

    AIHAAP    American Industrial Hygiene Association Journal. 23 (1962),95.
6.    

orl-rbt LD50:4763 mg/kg

    IMSUAI    Industrial Medicine and Surgery. 41 (1972),31.

Isobutyl acetate Consensus Reports

Reported in EPA TSCA Inventory.

Isobutyl acetate Safety Profile

Mildly toxic by ingestion and inhalation. A skin and eye irritant. Upon absorption by the body it can hydrolyze to acetic acid and isobutanol. Highly flammable liquid. A very dangerous fire and moderate explosion hazard when exposed to heat, flame, or oxidizers. To fight fire, use alcohol foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and fumes. See also Esters and n-butyl acetate.
Hazard Codes: FlammableF
Risk Statements: 11-66
R11:Highly flammable. 
R66:Repeated exposure may cause skin dryness or cracking.
Safety Statements: 16-23-25-29-33
S16:Keep away from sources of ignition. 
S23:Do not breathe vapour. 
S25:Avoid contact with eyes. 
S29:Do not empty into drains. 
S33:Take precautionary measures against static discharges.
RIDADR: UN 1213 3/PG 2
WGK Germany: 1
RTECS: AI4025000
HazardClass: 3
PackingGroup: II

Isobutyl acetate Standards and Recommendations

OSHA PEL: TWA 150 ppm
ACGIH TLV: TWA 150 ppm
DFG MAK: 100 ppm (480 mg/m3)
DOT Classification:  3; Label: Flammable Liquid

Isobutyl acetate Analytical Methods

For occupational chemical analysis use NIOSH: Esters I, 1450.

Isobutyl acetate Specification

 Isobutyl acetate , with CAS number of 110-19-0, can be called Aceticacid, isobutyl ester ; 2-Methylpropyl acetate ; Isobutyl acetate ; b-Methylpropyl ethanoate . Isobutyl acetate Like many esters, it has a fruity or floral smell at low concentrations and occurs naturally in raspberries, pears and other plants. At higher concentrations the odor can be unpleasant and may cause symptoms of central nervous system depression such as nausea, dizziness and headache. The chemical compound Isobutyl acetate (CAS NO.110-19-0)) is a common solvent. It is produced from the esterification of isobutanol with acetic acid, can be used as a solvent for lacquer and nitrocellulose.

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