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Merck
CN

537632

Isobutyl isobutyrate

≥98%

Synonym(s):

2-Methylpropyl 2-methylpropanoate

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About This Item

Linear Formula:
(CH3)2CHCO2CH2CH(CH3)2
CAS Number:
97-85-8
Molecular Weight:
144.21
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24878238
EC Number:
202-612-5
Beilstein/REAXYS Number:
1701355
MDL number:
MFCD00008916

Key Documents

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Product Name

Isobutyl isobutyrate, ≥98%

InChI key

RXGUIWHIADMCFC-UHFFFAOYSA-N

InChI

1S/C8H16O2/c1-6(2)5-10-8(9)7(3)4/h6-7H,5H2,1-4H3

SMILES string

CC(C)COC(=O)C(C)C

vapor pressure

1 mmHg ( 39.9 °C)

assay

≥98%

autoignition temp.

810 °F

refractive index

n20/D 1.398 (lit.)

bp

145-152 °C (lit.)

mp

−81 °C (lit.)

density

0.855 g/mL at 25 °C (lit.)

Quality Level

100

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Application

Isobutyl isobutyrate can be used:
  • In the zinc-catalyzed hydroboration reaction with pinacolborane (HBpin) as a reducing agent.
  • Asa low polarity solvent in the preparation of high-quality sulfide films.

General description

Isobutyl isobutyrate is a long-chain ester widely utilized as a solvent, additive, or raw material.

pictograms

Flame
GHS02

signalword

Warning

hcodes

H226

Hazard Classifications

Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

104.0 °F - closed cup

flash_point_c

40 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
MKCZ9172
MKCW3957
MKCP2562
MKCN3448
MKCG8854

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Response surface methodological approach for the synthesis of isobutyl isobutyrate.
Hamsaveni DR, et al.
Process. Biochem., 36(11), 1103-1109 (2001)
Boric acid catalyzed Tishchenko reactions.
Stapp PR.
The Journal of Organic Chemistry, 38(7), 1433-1434 (1973)
Yaoyao Peng et al.
Food research international (Ottawa, Ont.), 129, 108873-108873 (2020-02-11)
The phenolic compounds and aroma active compounds in feijoa (Acca sellowiana (O.Berg) Burret) juice from four New Zealand grown cultivars (Apollo, Unique, Opal Star, and Wiki Tu) were investigated. A high total phenolic content (maximum 1.89 mg GAE/mL juice) and significant
Béla P Molnár et al.
Frontiers in physiology, 9, 323-323 (2018-04-19)
Insects use sensitive olfactory systems to detect relevant host volatiles and avoid unsuitable hosts in a complex environmental odor landscape. Insects with short lifespans, such as gall midges (Diptera: Cecidomyiidae), are under strong selection pressure to detect and locate suitable

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