Isopropenyl acetate - ≥97% , CAS No.108-22-5

CAS: 108-22-5 Cat. No.: I684650 Molecular Weight: 100.12 Beilstein Registry Number: 1280347 EC Number: 203-562-7
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
Acetic Acid Isopropenyl Ester | 1-Methylvinyl acetate | IPA | Acetic Acid Isopropenyl Ester | prop-1-en-2-yl acetate | 1-Methylvinyl acetate | 2-Acetoxypropene | 2-Acetoxypropylene | Methylvinyl acetate | Propen-2-yl acetate
Storage
Room temperature,Argon charged
Shipped In
FedEx DG Service
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
25ml
I684650-25ml
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$9.90
100ml
I684650-100ml
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$12.90
500ml
I684650-500ml
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$27.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature,Argon charged Ships FedEx DG Service Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Isopropenyl acetate forms copolyperoxides of different compositions with indene by the free radical-initiated oxidative copolymerization

Specifications

Synonyms
Acetic Acid Isopropenyl Ester | 1-Methylvinyl acetate | IPA | Acetic Acid Isopropenyl Ester | prop-1-en-2-yl acetate | 1-Methylvinyl acetate | 2-Acetoxypropene | 2-Acetoxypropylene | Methylvinyl acetate | Propen-2-yl acetate
Specifications & Purity
≥97%
Storage
Room temperature, Argon charged
Shipped In
FedEx DG Service
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥97%
Names and Identifiers
Canonical SmilesCC(=C)OC(=O)C
IUPAC Nameprop-1-en-2-yl acetate
InChIKeyHETCEOQFVDFGSY-UHFFFAOYSA-N
INCHI1S/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3
Isomeric SMILES CC(=C)OC(=O)C
WGK Germany 1
RTECS UD4200000
UN Number 2403
Packing Group II
Molecular Weight 100.12
Beilstein 1280347
Reaxy-Rn 1280347
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1280347&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
SubclassCarboxylic acid derivatives
Intermediate Tree Nodes Carboxylic acid esters
Direct ParentEnol esters
Alternative Parents Monocarboxylic acids and derivatives  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic acyclic compounds
Substituents Enol ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as enol esters. These are ester derivatives of enols. They have the general formula RC=COC(=O)R' where R, R' = H or organyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
VDR Tclin Vitamin D receptor (26531 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot NumberCertificate TypeDateItem
E2609105Certificate of AnalysisMay 16, 2026 I684650
D2608063Certificate of AnalysisAug 29, 2025 I684650
H2520411Certificate of AnalysisAug 29, 2025 I684650
H2520412Certificate of AnalysisAug 29, 2025 I684650
H2520428Certificate of AnalysisAug 25, 2025 I684650
Chemical and Physical Properties
SolubilityIt is miscible with alcohols, ethers, ketones, etc.
SensitivityMoisture & heat sensitive
Refractive Index1.4001
Flash Point(°F)66.2 °F
Flash Point(°C)19℃
Boil Point(°C)97°C
Melt Point(°C)-73°C
Molecular Weight100.120 g/mol
XLogP31.000
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass100.052 Da
Monoisotopic Mass100.052 Da
Topological Polar Surface Area26.300 Ų
Heavy Atom Count7
Formal Charge0
Complexity94.300
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Yao Jian, Gui Lun, Yin Shaocheng.  (2021)  A novel esterase from a soil metagenomic library displaying a broad substrate range.  AMB Express,  11  (1): (1-10).  [PMID:33666762] [10.1186/s13568-021-01198-5]
Solution Calculators
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