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Isobutyl isobutyrate

CAS No.97-85-8
Chemical Name:Isobutyl isobutyrate
CBNumber:CB7413418
Molecular Formula:C8H16O2
Formula Weight:144.21
MOL File:97-85-8.mol

Isobutyl isobutyrate Property

Melting point ?81 °C (lit.)
Boiling point 145-152 °C (lit.)
Density 0.855 g/mL at 25 °C (lit.)
vapor pressure 1 mm Hg ( 39.9 °C)
refractive index n20/D 1.398(lit.)
FEMA 2189 | ISOBUTYL ISOBUTYRATE
Flash point 99 °F
storage temp. Flammables area
solubility Insoluble in water, miscible with alcohol and oils.
form Liquid
color Clear
PH 7 (H2O)
Odor Sweet-fruity, but also rather harsh-Pine-apple-like, diffusive-ethereal odor.
biological source synthetic
Odor Type fruity
explosive limit 1.2%(V)
Odor Threshold 0.075ppm
Water Solubility Soluble in water (1 g/L at 20oc).
Merck 14,5145
JECFA Number 194
BRN 1701355
LogP 3.17 at 20℃
Substances Added to Food (formerly EAFUS) ISOBUTYL ISOBUTYRATE
FDA 21 CFR 172.515
CAS DataBase Reference 97-85-8(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII Y495J99R5D
NIST Chemistry Reference Propanoic acid, 2-methyl-, 2-methylpropyl ester(97-85-8)
EPA Substance Registry System Isobutyl isobutyrate (97-85-8)
UNSPSC Code 41116107
NACRES NA.24

Safety

Hazard Codes :Xi
Risk Statements :10-36/37/38
Safety Statements :16-26-36
RIDADR :UN 2528 3/PG 3
WGK Germany :2
RTECS :NQ5250000
Autoignition Temperature :810 °F
TSCA :Yes
HazardClass :3
PackingGroup :III
HS Code :29159000
Hazardous Substances Data :97-85-8(Hazardous Substances Data)

NFPA 704:

	2
0		0

Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal wordWarning
Hazard statements H226
Precautionary statements P210-P370+P378

Isobutyl isobutyrate Price More Price(6)

Brand: Sigma-Aldrich(India)
Product number: W218901
Product name : Isobutyl isobutyrate
Purity: ≥97%
Packaging: 1SAMPLE-K
Price: ₹5141.88
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: W218901
Product name : Isobutyl isobutyrate
Purity: ≥97%
Packaging: 1KG
Price: ₹7339.35
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: W218901
Product name : Isobutyl isobutyrate
Purity: ≥97%
Packaging: 4KG
Price: ₹15122.53
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: 537632
Product name : Isobutyl isobutyrate
Purity: ≥98%
Packaging: 1L
Price: ₹7198.63
Updated: 2022/06/14
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Brand: TCI Chemicals (India)
Product number: I0316
Product name : Isobutyl Isobutyrate
Purity: min. 98.0 %
Packaging: 25ML
Price: ₹1800
Updated: 2022/05/26
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Isobutyl isobutyrate Chemical Properties,Usage,Production

Description Isobutyl isobutyrate has an odor and taste reminiscent of pineapple. It is used as a flavoring agent, insect repellent, and a substitute for methyl amyl acetate in nitrocellulose lacquers and thinners.
Chemical Properties The liquid is colorless to light yellow. It has the aroma of pineapple, grape skin, and ether. Its boiling point is 147-148°C, and its flash point is 37°C. It can dissolve in most organic solvents but is not soluble in water. It is found naturally in wine, olives, bananas, melons, strawberries, grapes, beer flower oil, white wine, quince, etc.
Occurrence Reported found in the essential oil of hops, grapes, apricot, banana, melon, strawberry, cider, passion fruit wine, sherry, grape wines, whiskey, olive, quince, plum wine, laurel, myrtle leaf and berry, Chinese quince and Roman chamomile oil.
Uses Isobutyl isobutyrate is used principally as a solvent, especially for nitrocellulose lacquers and thinners as well as coatings for plastic substrates, and high-solids coatings. The majority of end uses are in coatings (automotive, industrial, wood furniture, and graphic arts).
Definition ChEBI: 2-Methylpropyl 2-methylpropionate is a carboxylic ester.
Preparation The compound may be synthesized by catalytic reaction passing vapors of isobutyl alcohol over CuO + Al2O3, ZnO + Al2O3, or CuO + ZnO + Al2O3 at 350 - 400°C under pressure.
Aroma threshold values Detection: 36 ppb to 4.37 ppm; aroma characteristics at 1.0%: sweet, estry and fruity, winey, plum, apple and banana-like
General Description Isobutyl isobutyrate appears as a colorless liquid with a pleasant fruity odor. Moderately toxic by inhalation. Insoluble in water and floats on water, but soluble in alcohol and ethers. It is used as a flavoring and in the manufacture of insecticides.
Air & Water Reactions Highly flammable. Insoluble in water.
Reactivity Profile Isobutyl isobutyrate, [FLAMMABLE LIQUID] reacts with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction with caustic solutions. Flammable hydrogen is generated by mixing with alkali metals and hydrides.
Hazard Toxic by inhalation.
Health Hazard Exposure can cause irritation of eyes, nose and throat. Toxic by inhalation.
Toxics Screening Level Using the NOAEL of 1000 mg/kg from the gavage study, where (1 kg)/(.93 m3) is the inhalation rate for Wistar rats as cited in EPA 1988. Therefore an AAC of 300 μg/m3, with annual averaging, should be acceptable.