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W292605

Sigma-Aldrich

Isopropyl acetate

≥99%, FCC

Synonym(s):

Acetic acid isopropyl ester

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About This Item

Linear Formula:
CH3COOCH(CH3)2
CAS Number:
108-21-4
Molecular Weight:
102.13
FEMA Number:
2926
Beilstein:
1740761
EC Number:
203-561-1
Council of Europe no.:
193
MDL number:
MFCD00008877
UNSPSC Code:
12164502
PubChem Substance ID:
24901399
Flavis number:
9.003
NACRES:
NA.21

biological source

synthetic

Quality Level

400

grade

Fragrance grade
Halal
Kosher

Agency

follows IFRA guidelines
meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009
FCC
FDA 21 CFR 172.515

vapor density

3.5 (vs air)

vapor pressure

47 mmHg ( 20 °C)

Assay

≥99%

form

liquid

autoignition temp.

894 °F

expl. lim.

1.8 %, 37 °F
8 %

refractive index

n20/D 1.377 (lit.)

bp

85-91 °C (lit.)

mp

−73 °C (lit.)

density

0.872 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

Organoleptic

banana; ethereal; fruity; sweet

SMILES string

CC(C)OC(C)=O

InChI

1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3

InChI key

JMMWKPVZQRWMSS-UHFFFAOYSA-N

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Application


  • Comparative Study on the H-Abstraction Reactions of Isopropyl Acetate and Propyl Acetate by HO(2) and OH Radicals.: This research explores the reactivity of isopropyl acetate with radicals, crucial for understanding its stability and degradation in atmospheric conditions, offering insights relevant to environmental chemistry (Gao et al., 2024).

  • Diastereoselective and Scalable Synthesis of 6-(S)-Hydroxycannabidivarin.: This study includes methods where isopropyl acetate is used in the synthesis of cannabinoids, demonstrating its utility in enhancing reaction conditions for pharmaceutical applications (Stone et al., 2023).

  • Volatile Dual-Solvent Assisted Intermediate Phase Regulation for Anti-Solvent-Free Perovskite Photovoltaics.: Discusses the use of isopropyl acetate in producing advanced materials for solar cells, emphasizing its role in optimizing fabrication processes and enhancing the efficiency of renewable energy technologies (Yang et al., 2023).

Disclaimer

For R&D or non-EU Food use. Not for retail sale.

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Statements

H225,H319,H336

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3

Target Organs

Central nervous system

Supplementary Hazards

EUH066

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

41.0 °F - closed cup

Flash Point(C)

5 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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R Akimoto et al.
The Journal of surgical research, 53(6), 572-577 (1992-12-01)
Methyl tert-butyl ether (MTBE) is an organic solvent that has been used to dissolve gallstones via a percutaneous transhepatic catheter into the gallbladder. To test whether MTBE might cause serious tissue injury if accidentally infused outside the gallbladder, the effect
Thu Quach et al.
American journal of public health, 101 Suppl 1, S271-S276 (2011-05-10)
We engaged Vietnamese nail salon workers in a community-based participatory research (CBPR) study to measure personal and area concentrations of solvents in their workplace. We measured average work-shift concentrations of toluene, ethyl acetate, and isopropyl acetate among 80 workers from
J Arsan et al.
Biotechnology and bioengineering, 69(2), 222-226 (2000-06-22)
Fatty acid (FA) selectivity of immobilized Rhizomucor miehei lipase was determined for various cosubstrate systems for ester modification involving competing n-acyl-donor substrates of even-chain length (C4-C16; FA or their methyl esters, FAME) and either n-propanol or propyl acetate in hexane.
L S Kannegieter et al.
Investigative radiology, 27(2), 140-144 (1992-02-01)
In the first-known application of its kind, shockwave lithotripsy and contact-solvent dissolution of large, calcified gallstone burdens were performed simultaneously with three chemical solvents, each tested separately in an in vitro model, with the combined effects on gallstone eradication examined.
S F Zakko et al.
Gastroenterology, 113(1), 232-237 (1997-07-01)
Ethyl propionate and isopropyl acetate were identified as gallstone solvents with more favorable physicochemical properties than the currently used solvent methyl tert-butyl ether (MTBE). In this study, their efficacy and toxicity were compared. To compare efficacy, matched stones from 33
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