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:
(1)SMILES:O=C(OCCC(C)C)C;
(2)Std. InChI:InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3;
(3)Std. InChIKey:MLFHJEHSLIIPHL-UHFFFAOYSA-N.
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 BEHAVIORAL: FOOD INTAKE (ANIMAL) KIDNEY, URETER, AND BLADDER: PROTEINURIS | Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933. |
guinea pig | LDLo | subcutaneous | 5gm/kg (5000mg/kg) | PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE BEHAVIORAL: GENERAL ANESTHETIC | 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. |