Isobutyraldehyde - Distillation grade, ≥99.5% , CAS No.78-84-2

CAS: 78-84-2 Cat. No.: I434189 Molecular Weight: 72.11 Beilstein Registry Number: 605330 EC Number: 201-149-6
AVAILABLE TO ORDER
GRADE & PURITY Distillation grade ? Distillation grade — purified by/for distillation with controlled volatile profile. Use where distillation behavior and low residue are important. ≥99.5%
Synonyms
2-methylpropanal (isobutanal) | EN300-19563 | 2-methypropanal | UN 2045 | alpha -methylpropionaldehyde | HSDB 614 | Isobutyraldehyde, dry, 98% | so-Butyl aldehyde | Isobutyraldehyde, 98% | NCGC00091788-02 | 2-Methyl-1-propanal | Isobutyryl aldehyde | Buty
Storage
Store at 2-8°C
Shipped In
Wet ice,FedEx DG Service
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Size
Status
Price
Qty
5ml
I434189-5ml
2
$33.90
100ml
I434189-100ml
2
$319.90
25ml
I434189-25ml
1
$115.90
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Why this grade

Distillation grade, ≥99.5% Distillation grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C 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 31 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Application

Isobutyraldehyde has been used to investigate the renewable production of isobutyraldehyde from engineered Escherichia coli . It is also used as reagent during the epoxidation of cis -cyclooctene on iron complexed to acetylacetonate (acac)/silica xerogel.

Specifications

Synonyms
2-methylpropanal (isobutanal) | EN300-19563 | 2-methypropanal | UN 2045 | alpha -methylpropionaldehyde | HSDB 614 | Isobutyraldehyde, dry, 98% | so-Butyl aldehyde | Isobutyraldehyde, 98% | NCGC00091788-02 | 2-Methyl-1-propanal | Isobutyryl aldehyde | Buty
Specifications & Purity
Distillation grade, ≥99.5%
Storage
Store at 2-8°C
Shipped In
Wet ice, FedEx DG Service
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Distillation grade
Purity
≥99.5%
Names and Identifiers
Canonical SmilesCC(C)C=O
IUPAC Name2-methylpropanal
InChIKeyAMIMRNSIRUDHCM-UHFFFAOYSA-N
INCHI1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3
Isomeric SMILES CC(C)C=O
WGK Germany 1
RTECS NQ4025000
UN Number 2045
Packing Group II
Molecular Weight 72.11
Beilstein 605330
Reaxy-Rn 605330
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605330&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 an n-alkanal
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
NR3C1 Tclin Glucocorticoid receptor (14987 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MPO Tchem Myeloperoxidase (1002 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Lymphoblastoid cell (5959 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
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.

6 results found

Lot NumberCertificate TypeDateItem
E2515388Certificate of AnalysisMay 23, 2025 I434189
E2515389Certificate of AnalysisMay 23, 2025 I434189
E2515390Certificate of AnalysisMay 23, 2025 I434189
E2515391Certificate of AnalysisMay 23, 2025 I434189
E2515392Certificate of AnalysisMay 23, 2025 I434189
E2515393Certificate of AnalysisMay 23, 2025 I434189
Chemical and Physical Properties
Solubility60g/L at25°C
Refractive Index1.373
Flash Point(°F)-11.2 °F
Flash Point(°C)-24℃
Boil Point(°C)64°C
Melt Point(°C)-65.9°C
Molecular Weight72.110 g/mol
XLogP30.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass72.0575 Da
Monoisotopic Mass72.0575 Da
Topological Polar Surface Area17.100 Ų
Heavy Atom Count5
Formal Charge0
Complexity30.600
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
1. Yunzi Feng, Ziming Xie, Mingtao Huang, Xing Tong, Sha Hou, Hoeseng Tin, Mouming Zhao.  (2023)  Decoding temperature-driven microbial community changes and flavor regulation mechanism during winter fermentation of soy sauce.  FOOD RESEARCH INTERNATIONAL,      [PMID:38225154] [10.1016/j.foodres.2023.113756]
2. Baorong Chen, Xiaodan Wang, Yumeng Zhang, Wenyuan Zhang, Xiaoyang Pang, Shuwen Zhang, Jing Lu, Jiaping Lv.  (2023)  Determination and Risk Assessment of Flavor Components in Flavored Milk.  Foods,  12  (11): (2151).  [PMID:37297397] [10.3390/foods12112151]
3. Zhipeng Zhang, Lu Qian, Jianfeng Cheng, Qingyi Xie, Chunfeng Ma, Guangzhao Zhang.  (2023)  Room-Temperature Self-Healing Polyurea with High Puncture and Impact Resistances.  CHEMISTRY OF MATERIALS,      [PMID:] [10.1021/acs.chemmater.2c03782]
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6. Jing Wang, Mengru Li, Hui Wang, Wenjing Huang, Fang Li, Lili Wang, Chi-Tang Ho, Yanyan Zhang, Liang Zhang, Xiaoting Zhai, Xiaochun Wan.  (2022)  Decoding the Specific Roasty Aroma Wuyi Rock Tea (Camellia sinensis: Dahongpao) by the Sensomics Approach.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:35973132] [10.1021/acs.jafc.2c02249]
7. Xuefei Li, Wei Xie, Fan Bai, Jinlin Wang, Xiaodong Zhou, Ruichang Gao, Xinxing Xu, Yuanhui Zhao.  (2021)  Influence of thermal processing on flavor and sensory profile of sturgeon meat.  FOOD CHEMISTRY,      [PMID:34875433] [10.1016/j.foodchem.2021.131689]
8. 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]
9. 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]
10. Yanhui Zhong, Zhaoxia Shi, Taoxiao Wen, Xiaohua Xiao, Gongke Li, Yufei Hu.  (2020)  Cataluminescence strategy for rapid identification of sunscreen cosmetics based on its characteristic composition served as catalyst.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2020.128697]
11. 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]
12. 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]
13. Xiuquan Jia, Jiping Ma, Min Wang, Xiaofang Li, Jin Gao, Jie Xu.  (2016)  Alkali α-MnO2/NaxMnO2 collaboratively catalyzed ammoxidation–Pinner tandem reaction of aldehydes.  Catalysis Science & Technology,  (20): (7429-7436).  [PMID:] [10.1039/C6CY00874G]
14. Yuchao Wang, Da Shi, Shengyang Tao, Wentong Song, Hongmin Wang, Xinkui Wang, Guangtao Li, Jieshan Qiu, Min Ji.  (2015)  A General, Green Chemistry Approach for Immobilization of Inorganic Catalysts in Monolithic Porous Flow-Reactors.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.5b01541]
15. Yunzi Feng, Guowan Su, Haifeng Zhao, Yu Cai, Chun Cui, Dongxiao Sun-Waterhouse, Mouming Zhao.  (2014)  Characterisation of aroma profiles of commercial soy sauce by odour activity value and omission test.  FOOD CHEMISTRY,      [PMID:25148982] [10.1016/j.foodchem.2014.06.057]
16. Yangmin Ma, Hao Wu, Jin Zhang, Yanchao Li.  (2013)  Enantioselective Synthesis and Antimicrobial Activities of Tetrahydro-Β-Carboline Diketopiperazines.  CHIRALITY,  25  (10): (656-662).  [PMID:23861205] [10.1002/chir.22193]
17. Hao-Jie Bai, Hong-Wei Li, Yi Li, Zhijiu Huang, Sha Liu, Xin-He Duan, Yuqing Wu.  (2024)  A fluorescence-enhanced method specific for furfural determination in Chinese Baijiu based on luminescent carbon dots and direct surface reaction.  TALANTA,      [PMID:39116733] [10.1016/j.talanta.2024.126660]
18. Hao Luo, Yongjun Wu, Jing Jin, Lincheng Zhang, Shuoqiu Tong, Cen Li, Qibo Tan, Qiqin Han.  (2024)  Characterization of key aroma compounds of fried pepper sauce under different pretreatment processes.  RSC Advances,  14  (23): (16368-16378).  [PMID:38769966] [10.1039/D4RA02343A]
19. Shihao Su, Guojun Lv, Xuyang Zou, Jiangzhang Wang, Chaoyi Zhou, Yan Chen, Jialing Shen, Yangbin Shen, Zhongmin Liu.  (2023)  Room-temperature tandem conversion of cyclic alkenes into 1,2-diols using molecular oxygen and β-MnO2 heterogeneous catalyst.  GREEN CHEMISTRY,      [PMID:] [10.1039/D3GC02863A]
20. Ziming Xie, Dequan Zeng, Jingwen Wang, Mouming Zhao, Yunzi Feng.  (2023)  Dispersive liquid-liquid microextraction coupled with gas chromatography-mass spectrometry (GC-MS) for the determination of soy sauce aroma compounds.  FOOD CONTROL,      [PMID:] [10.1016/j.foodcont.2023.109838]
21. 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]
22. Yunzi Feng, Yu Cai, Guowan Su, Haifeng Zhao, Chenxia Wang, Mouming Zhao.  (2013)  Evaluation of aroma differences between high-salt liquid-state fermentation and low-salt solid-state fermentation soy sauces from China.  FOOD CHEMISTRY,      [PMID:24128458] [10.1016/j.foodchem.2013.07.072]
23. Shihao Su, Guojun Lv, Jialing Shen, Fuxin Wang, Lachgar Oussama, Yan Chen, Shengnan Xu.  (2025)  Pickering Interfacial Tandem Catalysis of Alkenes to 1,2-Diols over Manganese Oxide Catalysts at Room Temperature.  ACS Catalysis,      [PMID:] [10.1021/acscatal.4c06225]
24. Qianchun Zhang, Jiumei He, Chengcheng Wan, Xixi Long, Zhaoru Ban, Shan Tang, Yanju Chen.  (2025)  Porous aluminum nitride: A novel cataluminescence sensor for efficient detection of trace isobutyraldehyde.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2025.113013]
25. Qianchun Zhang, Yuxian Zhao, Zhaoru Ban, Li Jiang, Shan Tang.  (2024)  Synthesis of Mesoporous SiO2 Nanomicrospheres for the Efficient Cataluminescence Sensing of Isobutyraldehyde.  ACS Applied Nano Materials,      [PMID:] [10.1021/acsanm.4c02931]
26. Meng Tao, Wenli Guo, Jin Liang, Zhengquan Liu.  (2024)  Unraveling the key cooked off-flavor compounds in thermally sterilized green tea beverages, and masking effect of tea raw material baking.  FOOD CHEMISTRY,      [PMID:39423534] [10.1016/j.foodchem.2024.141671]
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31. Shan Tang, Jiumei He, Chengcheng Wan, Li Jiang, Qianchun Zhang.  (2026)  Unveiling the role of oxygen vacancies: Micropore-rich Ovm-TiO2 nanocatalysts for enhanced cataluminescence detection of isobutyraldehyde.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2026.166351]
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