iso-Valeraldehyde - ≥98% , CAS No.590-86-3

CAS: 590-86-3 Cat. No.: I103729 Molecular Weight: 86.13 Beilstein Registry Number: 773692 EC Number: 209-691-5
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
Isoamyl aldehyde | ISOVALERALDEHYDE [HSDB] | 3-Methylbutyraldehyde | 3-methyl-Butyraldehyde | 3-Methyl-1-butanal | BBL027631 | F2190-0631 | 2-Methylbutanal-4 | Isovaleral | Isovaleraldehyde, >=97%, FG | ISOVALERIC-ALDEHYDE | WLN: VH1Y1&1 | 3-Methyl butyra
Storage
Store at 2-8°C,Protected from light,Argon charged
Shipped In
Wet ice,FedEx DG Service
Size
Status
Price
Qty
25ml
I103729-25ml
1

$11.90

$17.90
Save $6.00 (33.52%)
100ml
I103729-100ml
2

$25.90

$33.90
Save $8.00 (23.60%)
500ml
I103729-500ml
2
$65.90
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C,Protected from light,Argon charged Ships Wet ice,FedEx DG Service Check lot-specific COA for exact specifications.

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Quality documents

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

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Literature proof

Cited in 43 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Isovaleraldehyde is a short-chain aldehyde that can be produced by oxidizing isoamyl alcohol. 
Isovaleraldehyde is an attractant and its interaction with zoospores of the fungus Phytophthora palmivora has been studied by binding techniques.

Specifications

Synonyms
Isoamyl aldehyde | ISOVALERALDEHYDE [HSDB] | 3-Methylbutyraldehyde | 3-methyl-Butyraldehyde | 3-Methyl-1-butanal | BBL027631 | F2190-0631 | 2-Methylbutanal-4 | Isovaleral | Isovaleraldehyde, >=97%, FG | ISOVALERIC-ALDEHYDE | WLN: VH1Y1&1 | 3-Methyl butyra
Specifications & Purity
≥98%
Storage
Store at 2-8°C, Protected from light, Argon charged
Shipped In
Wet ice, FedEx DG Service
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥98%
Names and Identifiers
Pubchem Sid508813462
Canonical SmilesCC(C)CC=O
IUPAC Name3-methylbutanal
InChIKeyYGHRJJRRZDOVPD-UHFFFAOYSA-N
INCHI1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3
Isomeric SMILES CC(C)CC=O
WGK Germany 1
RTECS ES3450000
UN Number 1989
Packing Group I
Molecular Weight 86.13
Beilstein 773692
Reaxy-Rn 773692
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=773692&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 oxygen compounds
ClassOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Aldehydes
Direct ParentAlpha-hydrogen aldehydes
Alternative Parents Short-chain aldehydes  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Alpha-hydrogen aldehyde - Organic oxide - Hydrocarbon derivative - Short-chain aldehyde - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as alpha-hydrogen aldehydes. These are aldehydes with the general formula HC(H)(R)C(=O)H, where R is an organyl group.
External Descriptors a small molecule
3D Structure
Interactive Chemical Structure Model





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.

31 results found

Lot NumberCertificate TypeDateItem
H2522736Certificate of AnalysisAug 12, 2025 I103729
H2522735Certificate of AnalysisAug 12, 2025 I103729
H2522734Certificate of AnalysisAug 12, 2025 I103729
H2522733Certificate of AnalysisAug 12, 2025 I103729
C2528440Certificate of AnalysisMar 22, 2025 I103729
C2528441Certificate of AnalysisMar 22, 2025 I103729
C2528442Certificate of AnalysisMar 22, 2025 I103729
C2528443Certificate of AnalysisMar 22, 2025 I103729
C2528460Certificate of AnalysisMar 22, 2025 I103729
H2519100Certificate of AnalysisMar 22, 2025 I103729
D2608008Certificate of AnalysisMar 22, 2025 I103729
F2414099Certificate of AnalysisMay 11, 2024 I103729
F2414190Certificate of AnalysisMay 11, 2024 I103729
F2414186Certificate of AnalysisMay 11, 2024 I103729
F2414101Certificate of AnalysisMay 11, 2024 I103729
D2425368Certificate of AnalysisApr 02, 2024 I103729
D2314712Certificate of AnalysisMar 27, 2023 I103729
D23141019Certificate of AnalysisMar 27, 2023 I103729
H2304196Certificate of AnalysisMar 27, 2023 I103729
D2101006Certificate of AnalysisJan 11, 2023 I103729
D2101005Certificate of AnalysisJan 11, 2023 I103729
D2101004Certificate of AnalysisJan 11, 2023 I103729
D2101003Certificate of AnalysisJan 11, 2023 I103729
D2101002Certificate of AnalysisJan 11, 2023 I103729
C2418033Certificate of AnalysisOct 10, 2022 I103729
L2212056Certificate of AnalysisOct 10, 2022 I103729
L2212058Certificate of AnalysisOct 10, 2022 I103729
L2212070Certificate of AnalysisOct 10, 2022 I103729
L2212239Certificate of AnalysisOct 10, 2022 I103729
I2016130Certificate of AnalysisJul 08, 2022 I103729
H2222269Certificate of AnalysisMar 11, 2021 I103729

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Chemical and Physical Properties
SolubilitySlightly soluble in water, soluble in alcohol and ether.
SensitivityLight and air sensitive ,heat sensitive
Refractive Index1.387-1.389
Flash Point(°F)32.9 °F
Flash Point(°C)0.5 °C
Boil Point(°C)90°C
Melt Point(°C)-60°C
Molecular Weight86.130 g/mol
XLogP31.000
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass86.0732 Da
Monoisotopic Mass86.0732 Da
Topological Polar Surface Area17.100 Ų
Heavy Atom Count6
Formal Charge0
Complexity39.200
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
Documents & Articles
Citations of This Product
References
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