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100365-71-7

100365-71-7 | Butenal, 2-methyl- (9CI)

CAS No: 100365-71-7 Catalog No: AG0001PS MDL No:

Product Description

Catalog Number:
AG0001PS
Chemical Name:
Butenal, 2-methyl- (9CI)
CAS Number:
100365-71-7
Molecular Formula:
C5H8O
Molecular Weight:
84.1164
IUPAC Name:
2-methylbut-2-enal
InChI:
InChI=1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3
InChI Key:
ACWQBUSCFPJUPN-UHFFFAOYSA-N
SMILES:
CC=C(C=O)C
FEMA Number:
3407

Properties

Complexity:
72  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
84.058g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
84.118g/mol
Monoisotopic Mass:
84.058g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
0.9  

Literature

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EBV Reactivation and Chromosomal Polysomies: Euphorbia tirucalli as a Possible Cofactor in Endemic Burkitt Lymphoma. Advances in hematology 20120101
Identification of potent odourants in wine and brewed coffee using gas chromatography-olfactometry and comprehensive two-dimensional gas chromatography. Journal of chromatography. A 20111021
Preventive and therapeutic euphol treatment attenuates experimental colitis in mice. PloS one 20110101
Application of ion mobility spectrometry for the detection of human urine. Analytical and bioanalytical chemistry 20101101
M3 muscarinic receptor- and Ca2+ influx-mediated muscle contractions induced by croton oil in isolated rabbit jejunum. Journal of ethnopharmacology 20100616
5-Meth-oxy-2,2-dimethyl-6-[(2E)-2-methyl-but-2-eno-yl]-10-phenyl-2H,8H-pyrano[2,3-f]chromen-8-one (calophyllolide). Acta crystallographica. Section E, Structure reports online 20100501
On the scent of sexual attraction. BMC biology 20100101
Darcin: a male pheromone that stimulates female memory and sexual attraction to an individual male's odour. BMC biology 20100101
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Anti-tumor activity of Aloe vera against DMBA/croton oil-induced skin papillomagenesis in Swiss albino mice. Journal of environmental pathology, toxicology and oncology : official organ of the International Society for Environmental Toxicology and Cancer 20100101
Metabolic characterization of loci affecting sensory attributes in tomato allows an assessment of the influence of the levels of primary metabolites and volatile organic contents. Journal of experimental botany 20090501
Activity-guided isolation of a novel protein from Croton tiglium with antifungal and antibacterial activities. Phytotherapy research : PTR 20081201
Effects of essential oil from Croton tiglium L. on intestinal transit in mice. Journal of ethnopharmacology 20080417
Characteristics, efficacy and safety testing of standardized extract of Croton tiglium seed from Indonesia as laxative material. Pakistan journal of biological sciences : PJBS 20080215
Release of volatile organic compounds (VOCs) from the lung cancer cell line CALU-1 in vitro. Cancer cell international 20080101
Pathway analysis of branched-chain ester biosynthesis in apple using deuterium labeling and enantioselective gas chromatography-mass spectrometry. Journal of agricultural and food chemistry 20070404
Direct aldehyde homologation utilized to construct a conjugated-tetraene hydrocarbon insect pheromone. Journal of agricultural and food chemistry 20070321
A novel analgesic pyrazine derivative from the leaves of Croton tiglium L. Journal of Asian natural products research 20070101
Difference in the volatile composition of pine-mushrooms (Tricholoma matsutake Sing.) according to their grades. Journal of agricultural and food chemistry 20060628
Diastereoselective and enantiospecific synthesis of gamma-substituted alpha,beta-unsaturated nitriles from O-protected allylic cyanohydrins. The Journal of organic chemistry 20060512
Stereoselective alkylation of alpha,beta-unsaturated imines via C-H bond activation. Journal of the American Chemical Society 20060503
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Convergent total synthesis of gymnocin-A and evaluation of synthetic analogues. Journal of the American Chemical Society 20050330
[Inhibitory effects of some traditional medicines on proliferation of HIV-1 and its protease]. Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan 20040801
Effect of ethanol extracts of three Chinese medicinal plants with laxative properties on ion transport of the rat intestinal epithelia. Biological & pharmaceutical bulletin 20040201
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Total synthesis of gymnocin-A. Journal of the American Chemical Society 20031126
Analysis of a model reaction system containing cysteine and (E)-2-methyl-2-butenal, (E)-2-hexenal, or mesityl oxide. Journal of agricultural and food chemistry 20031119
Protein kinase C translocation by modified phorbol esters with functionalized lipophilic regions. The Journal of organic chemistry 20030627
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