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About This Item
Linear Formula:
(CH3)2CHCO2COCH(CH3)2
CAS Number:
Molecular Weight:
158.19
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
202-603-6
Beilstein/REAXYS Number:
386267
MDL number:
Assay:
97%
Form:
liquid
vapor density
5.45 (vs air)
vapor pressure
10 mmHg ( 67 °C)
assay
97%
form
liquid
autoignition temp.
624 °F
expl. lim.
1.09 %, 87 °F, 7.7 %, 127 °F
refractive index
n20/D 1.406 (lit.)
bp
182 °C (lit.)
mp
−56 °C (lit.)
density
0.954 g/mL at 25 °C (lit.)
functional group
anhydride, ester
SMILES string
CC(C)C(=O)OC(=O)C(C)C
InChI
1S/C8H14O3/c1-5(2)7(9)11-8(10)6(3)4/h5-6H,1-4H3
InChI key
LSACYLWPPQLVSM-UHFFFAOYSA-N
General description
The mechanism of esterification of 1-(1-naphthyl)ethanol by isobutyric anhydride with 4-pyrrolidinopyridine as catalyst was studied.
Application
Isobutyric anhydride was used in the synthesis of 4-O-isobutyryl derivative via reaction with octyl β-D-glucopyranoside in the presence of C2-symmetric chiral 4-pyrrolidinopyridine as a catalyst.
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hcodes
signalword
Danger
Hazard Classifications
Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Skin Corr. 1B
Storage Class
6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
wgk
WGK 3
flash_point_f
154.4 °F - closed cup
flash_point_c
68 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
危险化学品
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Evgeny Larionov et al.
Journal of the American Chemical Society, 134(22), 9390-9399 (2012-05-10)
The mechanism of esterification of the secondary alcohol 1-(1-naphthyl)ethanol 9 by isobutyric anhydride catalyzed by 4-pyrrolidinopyridine (PPY, 11) and a series of single enantiomer atropisomeric 4-dialkylaminopyridines 8a-g has been studied computationally at the B3LYP/6-311+G(d,p)//B3LYP/6-31G(d) level. Comparison of the levels of
Bin Wang et al.
Chemistry, an Asian journal, 10(8), 1690-1697 (2015-06-03)
Hyperbranched polyethylenimine terminated with isobutyramide groups (HPEI-IBAm), 4-(phenylazo)benzoic acid (PABA), and α-cyclodextrin (α-CD) were assembled together at pH≈7 to form the three-component supramolecular complexes that were verified by (1) H and 2D ROESY (1) H NMR spectroscopy. UV/Vis spectrometric titration experiments
Takeo Kawabata et al.
Journal of the American Chemical Society, 129(42), 12890-12895 (2007-10-02)
An organocatalytic method for the chemo- and regioselective acylation of monosaccharides has been developed. Treatment of octyl beta-D-glucopyranoside with isobutyric anhydride in the presence of 10 mol % of a C2-symmetric chiral 4-pyrrolidinopyridine catalyst (1) at -50 degrees C gave
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 245771-25ML | 04061837376535 |
| 245771-500ML | 04061825849669 |
| 245771-2L | 04061825849652 |