2-Methylbutyraldehyde - ≥95%(GC) , CAS No.96-17-3

CAS: 96-17-3 Cat. No.: M158687 Molecular Weight: 86.13 Beilstein Registry Number: 1633540 EC Number: 202-485-6
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GRADE & PURITY ≥95%(GC)
Synonyms
WLN: VHY2&1 | 2-Formylbutane | 2-Methylbutyraldehyde (natural) | CHEBI:16182 | 2-Methylbutyraldehyde, analytical standard | EINECS 202-485-6 | AKOS009107038 | alpha-2-Methyl-n-butanal | F71422 | UNII-47H597M1YY | 2-METHYLBUTYRALDEHYDE [FHFI] | RS)-2-Methy
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice
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Size
Status
Price
Qty
5ml
M158687-5ml
2
$9.90
25ml
M158687-25ml
1
$15.90
100ml
M158687-100ml
2
$39.90
250ml
M158687-250ml
1
$79.90
500ml
M158687-500ml
1
$139.90
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Why this grade

≥95%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C,Argon charged Ships Wet ice 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 18 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Application:

2-Methylbutyraldehyde can be used as a reactant to synthesize:
2-amino-3-cyanopyridine derivatives via multicomponent condensation with various acetophenones and malononitrile in the presence of ammonium acetate.
N,N-Diethyl-2-methyl-1-butanamine by reacting with diethylamine via Rh-catalyzed reductive amination reaction in the presence of molecular hydrogen.
α-(2-Methylbutylidene)benzeneacetonitrile by condensation reaction with benzyl cyanide using tricyclic strong nonionic Lewis bases.

Specifications

Synonyms
WLN: VHY2&1 | 2-Formylbutane | 2-Methylbutyraldehyde (natural) | CHEBI:16182 | 2-Methylbutyraldehyde, analytical standard | EINECS 202-485-6 | AKOS009107038 | alpha-2-Methyl-n-butanal | F71422 | UNII-47H597M1YY | 2-METHYLBUTYRALDEHYDE [FHFI] | RS)-2-Methy
Specifications & Purity
≥95%(GC)
Storage
Store at 2-8°C, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥95%(GC)
Names and Identifiers
Canonical SmilesCCC(C)C=O
IUPAC Name2-methylbutanal
InChIKeyBYGQBDHUGHBGMD-UHFFFAOYSA-N
INCHI1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3
Isomeric SMILES CCC(C)C=O
WGK Germany 1
RTECS ES3400000
Molecular Weight 86.13
Beilstein 1633540
Reaxy-Rn 1633540
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1633540&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 ParentShort-chain aldehydes
Alternative Parents Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Organic oxide - Hydrocarbon derivative - Short-chain aldehyde - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as short-chain aldehydes. These are an aldehyde with a chain length containing between 2 and 5 carbon atoms.
External Descriptors a small molecule
3D Structure
Interactive Chemical Structure Model





Associated Targets(non-human)
Myzus persicae (1112 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Tetranychus urticae (2600 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Lactuca sativa (1092 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Brevicoryne brassicae (33 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Frankliniella occidentalis (90 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pseudococcus affinis (11 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pseudococcus viburni (11 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.

20 results found

Lot NumberCertificate TypeDateItem
H2206377Certificate of AnalysisMay 20, 2026 M158687
H2206359Certificate of AnalysisMay 20, 2026 M158687
H2206250Certificate of AnalysisMay 20, 2026 M158687
E2609522Certificate of AnalysisApr 22, 2026 M158687
E2609523Certificate of AnalysisApr 22, 2026 M158687
E2609524Certificate of AnalysisApr 22, 2026 M158687
E2609525Certificate of AnalysisApr 22, 2026 M158687
G2120202Certificate of AnalysisMay 09, 2025 M158687
G2120201Certificate of AnalysisMay 09, 2025 M158687
K2521052Certificate of AnalysisFeb 21, 2025 M158687
C2517476Certificate of AnalysisFeb 21, 2025 M158687
C2517456Certificate of AnalysisFeb 21, 2025 M158687
C2517454Certificate of AnalysisFeb 21, 2025 M158687
J2408411Certificate of AnalysisJul 10, 2024 M158687
J2408537Certificate of AnalysisJul 10, 2024 M158687
G2408044Certificate of AnalysisJun 20, 2022 M158687
B2508167Certificate of AnalysisJun 20, 2022 M158687
H2206378Certificate of AnalysisJun 20, 2022 M158687
B2508091Certificate of AnalysisJun 20, 2022 M158687
H2329100Certificate of AnalysisMay 25, 2021 M158687

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Chemical and Physical Properties
SolubilitySoluble in water (17 mg/ml at 20° C), ether, and alcohol.
SensitivityHeat & Air sensitive
Refractive Indexn20/D 1.3919 (lit.)
Flash Point(°F)39.2 °F
Flash Point(°C)4 °C
Boil Point(°C)94-96°C
Molecular Weight86.130 g/mol
XLogP31.100
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
Complexity41.200
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
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. Yanqun Xu, Jieqiong Wang, Ziqing Wu, Jing Huang, Zhenbiao Li, Jiayi Xu, Dan Long, Tian Ye, Gennv Wang, Junfeng Yin, Zisheng Luo, Yongquan Xu.  (2023)  The role of glutathione in stabilizing aromatic volatile organic compounds in Rougui Oolong tea: A comprehensive study from content to mechanisms.  FOOD CHEMISTRY,      [PMID:37866345] [10.1016/j.foodchem.2023.137802]
2. Hua Liu, Xingguang Chen, Jian Lu, Dianhui Wu.  (2023)  Evaluation of the differences between low-salt solid-state fermented soy sauce and high-salt diluted-state fermented soy sauce in China: from taste-active compounds and aroma-active compounds to sensory characteristics.  JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE,      [PMID:37574531] [10.1002/jsfa.12924]
3. Xin Geng, Zhengyan Zhao, Hongli Li, David Da Yong Chen.  (2021)  Tee-Shaped Sample Introduction Device Coupled with Direct Analysis in Real-Time Mass Spectrometry for Gaseous Analytes.  ANALYTICAL CHEMISTRY,      [PMID:34825821] [10.1021/acs.analchem.1c03281]
4. Shuang Chen, Jialing Lu, Michael Qian, Hongkui He, Anjun Li, Jun Zhang, Xiaomei Shen, Jiangjing Gao, Yan Xu.  (2021)  Untargeted Headspace-Gas Chromatography-Ion Mobility Spectrometry in Combination with Chemometrics for Detecting the Age of Chinese Liquor (Baijiu).  Foods,  10  (11): (2888).  [PMID:34829169] [10.3390/foods10112888]
5. Shan-Shan Zhang, Sen Guo, Zhao-Jing Zheng, Shao-Jing Liu, Yu-Fei Hou, Chi-Tang Ho, Nai-Sheng Bai.  (2021)  Characterization of volatiles in Allium tenuissimum L. flower by headspace-gas chromatography-olfactometry-mass spectrometry, odor activity values, and the omission and recombination experiments.  LWT-FOOD SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.lwt.2021.112144]
6. Weihua Ma, Denglong Long, Yi Wang, Xinyu Li, Jiaxing Huang, Jinshan Shen, Wenting Su, Yusuo Jiang, Jie Li.  (2020)  Electrophysiological and behavioral responses of Asian and European honeybees to pear flower volatiles.  JOURNAL OF ASIA-PACIFIC ENTOMOLOGY,      [PMID:] [10.1016/j.aspen.2020.12.011]
7. Ji Luo, Mustapha Muhammad Nasiru, Wenjing Yan, Hong Zhuang, Guanghong Zhou, Jianhao Zhang.  (2019)  Effects of dielectric barrier discharge cold plasma treatment on the structure and binding capacity of aroma compounds of myofibrillar proteins from dry-cured bacon.  LWT-FOOD SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.lwt.2019.108606]
8. Zhenghong Hu, Pu Jia, Yajun Bai, Tai-ping Fan, Xiaohui Zheng, Yujie Cai.  (2019)  Characterisation of five alcohol dehydrogenases from Lactobacillus reuteri DSM20016.  PROCESS BIOCHEMISTRY,      [PMID:] [10.1016/j.procbio.2019.08.010]
9. Fengchuan Yu, Yajun Bai, Tai-ping Fan, Xiaohui Zheng, Yujie Cai.  (2019)  Alcohol dehydrogenases from Proteus mirabilis contribute to alcoholic flavor.  JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE,  99  (8): (4123-4128).  [PMID:30761541] [10.1002/jsfa.9642]
10. Yingying Zhang, Yuan Wang, Huan Liu, Dasheng Xu, Dengyong Liu.  (2025)  Development of a fiber derivatization method for the analysis of 18 carbonyl compounds in roasted lamb using HS-SPME/GC-TQ/MS.  FOOD CHEMISTRY,      [PMID:40138836] [10.1016/j.foodchem.2025.143881]
11. Xiaomin Wang, Meigui Huang, Yishun Yao, Jingyang Yu, Heping Cui, Khizar Hayat, Xiaoming Zhang, Chi-Tang Ho.  (2024)  Difference comparison of characteristic aroma compounds between braised pork cooked by traditional open-fire and induction cooker and the potential formation cause under electromagnetic cooking.  FOOD RESEARCH INTERNATIONAL,      [PMID:38823846] [10.1016/j.foodres.2024.114506]
12. Xiayu Zhong, Shihong Cai, Limei Yu, Hao Dong, Qiaoyu Liu, Yuanhong Zhang, Xiaofang Zeng.  (2025)  Conformation Changes and Flavor Binding Capacity of Myofibrillar Proteins Upon Different Amounts of Sugar Additions: Relating to the Processing of Cantonese Sausage.  JOURNAL OF FOOD SCIENCE,  90  (7): (e70380).  [PMID:40635152] [10.1111/1750-3841.70380]
13. Liang Dong, Yingmin Hou, Feng Li, Yongzhe Piao, Xiao Zhang, Xiaoyu Zhang, Cheng Li, Changxin Zhao.  (2014)  Characterization of volatile aroma compounds in different brewing barley cultivars.  JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE,  95  (5): (915-921).  [PMID:24862930] [10.1002/jsfa.6759]
14. Yanru Qiu, Yudong Wang, Wenrou Su, Feifei Wang.  (2025)  Revealing the impact of processing technology on the aroma profile of Roasted coffee (Coffea Arabica) oil using Flavoromics strategy and chemometrics.  LWT-FOOD SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.lwt.2025.118913]
15. Liwen Ding, Zewen Liu, Weihang Wang, Yang Yang, Ren Sa, Hongmei Wang, Liru Mi, Yalan Qin, Shaocong Kang, Meruyert Medelbek, Assiya Ansabayeva, Yuling Meng, Weixing Shan.  (2025)  Negative Immune Regulator CAD7 Functions as a Small-Molecule Aldehyde Reductase and Increases Histamine Accumulation in Arabidopsis.  MOLECULAR PLANT PATHOLOGY,  26  (12): (e70196).  [PMID:41456913] [10.1111/mpp.70196]
16. Shuge Yuan, Yahui Liu, Jinglin Yu, Ping Yang, Wei Yong, Zongxu Zhao, Tianyang Guo, Huanlu Song.  (2025)  Molecular sensory insights into odor activity and formation pathway of volatile compounds across roasting degrees in coffee beans.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2025.107712]
17. Zhiqiang Zheng, Weiwei Wu, Zhihui Wang, Peng Zhang, Bangxing Ma, Yan Huang, Weijiang Sun.  (2025)  Molecular sensory basis of the unique “cocoa aroma” in white tea: An integrated study combining HS-SPME-GC–MS, GC-O, molecular docking, and addition tests.  FOOD RESEARCH INTERNATIONAL,      [PMID:40356110] [10.1016/j.foodres.2025.116413]
18. Yuqi Xie, Yingying Zhang, Wenxi Qi, Yi Zhang, Guangyang Zhou, Dengyong Liu.  (2026)  Characterization of key aroma-active components in roast mutton: Integration of GC-IMS, GC–MS, and aroma recombination.  Food Chemistry-X,      [PMID:] [10.1016/j.fochx.2026.103893]
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