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Isoamyl acetate

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Isoamyl acetate

EINECS 204-662-3
CAS No. 123-92-2 Density 0.879 g/cm3
Solubility Slightly soluble in water: 0.20 g/100 mL Melting Point -78 °C
Formula C7H14O2 Boiling Point 142.1 °C at 760 mmHg
Molecular Weight 130.21 Flash Point 25 °C
Transport Information UN 1104 3/PG 3 Appearance colourless liquid with a smell of bananas
Safety 23-25-2-36/37/39-26-16 Risk Codes 10-66-36/37/38
Molecular Structure Molecular Structure of 123-92-2 (Isoamyl acetate) Hazard Symbols IrritantXi

1-Butanol,3-methyl-, acetate (9CI);Acetic acid, isoamyl ester (3CI);Isopentyl alcohol,acetate (6CI,8CI);3-Methyl-1-butanol acetate;3-Methylbutyl ethanoate;Acetic acid 3-methyl-1-butylester;Acetic acid 3-methylbutyl ester;Acetic acid isopentyl ester;Bananaoil;Isoamyl alcohol acetate;Isoamyl ethanoate;Isopentyl acetate;Isopentyl ethanoate;NSC 9260;Pear oil;i-Amyl acetate;iso-Amyl acetate;iso-Pentyl acetate;


Isoamyl acetate Consensus Reports

Reported in EPA TSCA Inventory.

Isoamyl acetate Standards and Recommendations

OSHA PEL: TWA 100 ppm
ACGIH TLV: TWA 150 ppm
DFG MAK: 50 ppm

Isoamyl acetate Analytical Methods

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

Isoamyl acetate Specification

The Isoamyl acetate, with the CAS registry number 123-92-2,is also known as Albichthol; Albichtol; Albikhtol; Ammonium bithiolicum. It belongs to the product categories of Analytical Chemistry;Solvents for HPLC & Spectrophotometry. Its EINECS number is 204-662-3. This chemical's molecular formula is C7H14O2 and molecular weight is 130.18. What's more,Its systematic name is Isoamyl acetate. It is a Oily liquid which is highly flammable and insoluble in water.It is also used to test the effectiveness of respirators or gas masks because it has a strong smell which is generally not experienced as unpleasant and that can be detected at low concentrations, and has low toxicity.

Physical properties about Isoamyl acetate are:
(1)ACD/LogP:  2.158; (2)# of Rule of 5 Violations:  0; (3)ACD/LogD (pH 5.5):  2.16; (4)ACD/LogD (pH 7.4):  2.16; (5)ACD/BCF (pH 5.5):  25.70; (6)ACD/BCF (pH 7.4):  25.70; (7)ACD/KOC (pH 5.5):  355.50; (8)ACD/KOC (pH 7.4):  355.50; (9)#H bond acceptors:  2; (10)#H bond donors:  0; (11)#Freely Rotating Bonds:  4; (12)Index of Refraction:  1.404; (13)Molar Refractivity:  36.212 cm3; (14)Molar Volume:  147.942 cm3; (15)Surface Tension:  25.5960006713867 dyne/cm; (16)Density:  0.88 g/cm3; (17)Flash Point:  25 °C; (18)Enthalpy of Vaporization:  37.926 kJ/mol; (19)Boiling Point:  142.099 °C at 760 mmHg; (20)Vapour Pressure:  5.67799997329712 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(2)Std. InChI:InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3;

Production of Isoamyl acetate:
Isoamyl acetate (CAS NO.123-92-2) can be prepared in the laboratory by the acid catalyzed Fischer esterification reaction between isoamyl alcohol and glacial acetic acid as shown in the reaction equation below. Typically, concentrated sulfuric acid is used as the catalyst. The reactants are refluxed in order to promote the reaction, the acid is neutralized and extracted, and the product is dried, then distilled.

Safety Information of Isoamyl acetate:
The Isoamyl acetate is irritating to eyes, respiratory system and skin.Repeated exposure may cause skin dryness or cracking. So it should Keep out of the reach of children.And it is highly flammable, so it should be keep away from sources of ignition - No smoking .When you use it ,wear suitable protective clothing, gloves and eye/face protection,and do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) ,and avoid contact with eyes.In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

The toxicity data of Isoamyl acetate are as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LCLo inhalation 35gm/m3 (35000mg/m3) BEHAVIORAL: GENERAL ANESTHETIC


Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933.

Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933.
rabbit LD50 oral 7422mg/kg (7422mg/kg)   Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972.
rabbit LD50 skin > 5gm/kg (5000mg/kg)   National Technical Information Service. Vol. OTS0573010,
rat LD50 oral 16600mg/kg (16600mg/kg)   Yakkyoku. Pharmacy. Vol. 32, Pg. 1241, 1981.


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