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Key Documents

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:
Molecular Weight:
102.13
FEMA Number:
2926
Beilstein:
1740761
EC Number:
Council of Europe no.:
193
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
9.003
NACRES:
NA.21
grade:
Fragrance grade
Halal
Kosher
biological source:
synthetic
food allergen:
no known allergens

biological source

synthetic

Quality Level

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

Signal Word

Danger

Hazard Statements

Hazard Classifications

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

Target Organs

Central nervous system

Supplementary Hazards

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

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