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Butyraldehyde - standard for GC,>99.5%(GC), high purity , CAS No.123-72-8

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Item Number
B100299
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B100299-5ml
5ml
3
$32.90

Basic Description

Synonyms Butyraldehyde, United States Pharmacopeia (USP) Reference Standard | DTXSID8021513 | EC 204-646-6 | H21352682A | AI3-24198 | AKOS000120429 | butyraldehyde | butyr-aldehyde | C01412 | MFCD00007023 | Tox21_202491 | bmse000972 | Butalyde | Butyraldehyde, 99%
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 Alpha-hydrogen aldehydes
Alternative Parents Short-chain aldehydes  Organic oxides  Hydrocarbon derivatives  
Molecular Framework Aliphatic acyclic compounds
Substituents Alpha-hydrogen aldehyde - Organic oxide - Hydrocarbon derivative - Short-chain aldehyde - Aliphatic acyclic compound
Description This 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 an n-alkanal

Associated Targets(Human)

CXCL8 Tchem Interleukin-8 (642 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 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
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 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 butanal
INCHI InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3
InChIKey ZTQSAGDEMFDKMZ-UHFFFAOYSA-N
Smiles CCCC=O
Isomeric SMILES CCCC=O
WGK Germany 1
RTECS ES2275000
UN Number 1129
Packing Group II
Molecular Weight 72.11
Beilstein 506061
Reaxy-Rn 506061
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506061&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.

2 results found

Lot Number Certificate Type Date Item
F2327474 Certificate of Analysis Jun 29, 2023 B100299
I2214312 Certificate of Analysis Sep 05, 2022 B100299

Chemical and Physical Properties

Flash Point(°F) 23 °F
Flash Point(°C) -5 °C
Boil Point(°C) 75°C
Melt Point(°C) -96 °C
Molecular Weight 72.110 g/mol
XLogP3 0.900
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 2
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 24.800
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

Citations of This Product

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20. Qi Zhao, Yu Liu, Hui Ma, Yan Qiao, Jianbin Chao, Xianglin Hou, Yuqi Wang, Yingxiong Wang.  (2020)  Combination of pure shift NMR and chemical shift selective filters for analysis of Fischer-Tropsch waste-water.  ANALYTICA CHIMICA ACTA,  1110  (131). 
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