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Isobutyraldehyde - Standard for GC,>99.5%(GC), high purity , CAS No.78-84-2

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Item Number
I108293
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I108293-5ml
5ml
3
$32.90

Basic Description

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 Standard for GC, ≥99.5%(GC)
Storage Temp Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Grade Standard for GC

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organic oxygen compounds
Class Organooxygen compounds
Subclass Carbonyl compounds
Intermediate Tree Nodes Aldehydes
Direct Parent Short-chain aldehydes
Alternative Parents Organic oxides  Hydrocarbon derivatives  
Molecular Framework Aliphatic acyclic compounds
Substituents Organic oxide - Hydrocarbon derivative - Short-chain aldehyde - Aliphatic acyclic compound
Description This 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

Associated Targets(Human)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MPO Tchem Myeloperoxidase (1002 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Lymphoblastoid cell (5959 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Myzus persicae (1112 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Tetranychus urticae (2600 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Lactuca sativa (1092 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Brevicoryne brassicae (33 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Frankliniella occidentalis (90 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Pseudococcus affinis (11 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Pseudococcus viburni (11 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name 2-methylpropanal
INCHI InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3
InChIKey AMIMRNSIRUDHCM-UHFFFAOYSA-N
Smiles CC(C)C=O
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=

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.

4 results found

Lot Number Certificate Type Date Item
B2508294 Certificate of Analysis Jan 21, 2025 I108293
J2323637 Certificate of Analysis Oct 17, 2023 I108293
H2314438 Certificate of Analysis Aug 04, 2023 I108293
A2314156 Certificate of Analysis Dec 08, 2022 I108293

Chemical and Physical Properties

Refractive Index 1.373
Flash Point(°F) -11.2 °F
Flash Point(°C) -24℃
Boil Point(°C) 64°C
Melt Point(°C) -65.9°C
Molecular Weight 72.110 g/mol
XLogP3 0.800
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 1
Exact Mass 72.0575 Da
Monoisotopic Mass 72.0575 Da
Topological Polar Surface Area 17.100 Ų
Heavy Atom Count 5
Formal Charge 0
Complexity 30.600
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

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Citations of This Product

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2. 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,     
3. 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). 
4. 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,  35  (4): (1806–1817). 
5. Li Liu, Yuanhui Zhao, Shixue Lu, Yihuan Liu, Xinxing Xu, Mingyong Zeng.  (2023)  Metabolomics investigation on the volatile and non-volatile composition in enzymatic hydrolysates of Pacific oyster (Crassostrea gigas).  Food Chemistry-X,  17  (100569). 
6. Qianchun Zhang, Qin Zhou, Yun Wu, Yanxin Li, Fengling Tian, Shan Tang, Li Jiang.  (2022)  Enhanced cataluminescence sensing of MIL-53(Al)/Sb2SnO5 composites for isobutanol detection.  MEASUREMENT SCIENCE and TECHNOLOGY,  34  (2): (25106). 
7. 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,  70  (34): (10571–10583). 
8. Xuefei Li, Wei Xie, Fan Bai, Jinlin Wang, Xiaodong Zhou, Ruichang Gao, Xinxing Xu, Yuanhui Zhao.  (2022)  Influence of thermal processing on flavor and sensory profile of sturgeon meat.  FOOD CHEMISTRY,  374  (131689). 
9. 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,  93  (50): (16813–16820). 
10. 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). 
11. 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,  323  (128697). 
12. 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,  86  (73). 
13. 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). 
14. 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). 
15. Yuchao Wang, Da Shi, Shengyang Tao, Wentong Song, Hongmin Wang, Xinkui Wang, Guangtao Li, Jieshan Qiu, Min Ji.  (2016)  A General, Green Chemistry Approach for Immobilization of Inorganic Catalysts in Monolithic Porous Flow-Reactors.  ACS Sustainable Chemistry & Engineering,  (3): (1602–1610). 
16. Yunzi Feng, Guowan Su, Haifeng Zhao, Yu Cai, Chun Cui, Dongxiao Sun-Waterhouse, Mouming Zhao.  (2015)  Characterisation of aroma profiles of commercial soy sauce by odour activity value and omission test.  FOOD CHEMISTRY,  167  (220). 
17. Yangmin Ma, Hao Wu, Jin Zhang, Yanchao Li.  (2013)  Enantioselective Synthesis and Antimicrobial Activities of Tetrahydro-Β-Carboline Diketopiperazines.  CHIRALITY,  25  (10): (656-662). 
18. 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,  279  (126660). 
19. 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). 
20. 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,  (16): (19056-19064). 
21. Meng Tao, Wenli Guo, Jin Liang, Zhengquan Liu.  (2025)  Unraveling the key cooked off-flavor compounds in thermally sterilized green tea beverages, and masking effect of tea raw material baking.  FOOD CHEMISTRY,  464  (141671). 

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