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线性分子式:
CH3CH=C(CH3)CHO
化学文摘社编号:
分子量:
84.12
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
1698207
Assay:
≥96%
Form:
liquid
InChI
1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3+
SMILES string
C\C=C(/C)C=O
InChI key
ACWQBUSCFPJUPN-HWKANZROSA-N
assay
≥96%
form
liquid
Quality Level
refractive index
n20/D 1.448 (lit.)
bp
116-119 °C/752 mmHg (lit.)
density
0.869 g/mL at 20 °C, 0.871 g/mL at 25 °C (lit.)
functional group
aldehyde
Application
噻吩醛用于 7-去甲基杀螨素 A1 的简洁全合成。它在合成过程中用作起始试剂:
- 烷基支链四烯烃,干果甲虫的信息素成分
- E,E-2,4-二甲基-2,4-六烯二烯, Leiobunum nigripalpi 的防御性分泌物的挥发性成分
- 4-甲基-2,4-己二烯-1-醇
signalword
Danger
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
3 - Flammable liquids
wgk
WGK 3
flash_point_f
69.8 °F - closed cup
flash_point_c
21 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
法规信息
危险化学品
此项目有
T H Jones et al.
Proceedings of the National Academy of Sciences of the United States of America, 74(2), 419-422 (1977-02-01)
Analyses of the chief volatile constituents of the defensive secretions of three oplionids were carried out. Leiobunum nigripalpi produces three closely related C7 compounds: E-4-methyl-4-hexen-3-one(I), 4-methylhexan-3-one(II), and 4-methylhexan-3-ol(III), along with E-4-methyl-4-hepten-3-one(IV), E,E-2,4-dimethylhexa-2,4-dienal(IX), and a minor, unidentified component. L. leiopenis secretion
Synthesis of 1, 2-and 1, 4-disubstituted tricarbonyl (pentadienyl) iron (+ 1) cations and reactions with heteroatom nucleophiles.
Donaldson WA, et al
Organometallics, 12(4), 1174-1179 (1993)
Synthesis of nitidulid beetle pheromones: alkyl-branched tetraene hydrocarbons.
Bartelt RJ, et al.
Journal of Agricultural and Food Chemistry, 38(12), 2192-2196 (1990)
Hasmik Grigoryan et al.
Carcinogenesis, 39(5), 661-668 (2018-03-15)
Although benzene has long been recognized as a cause of human leukemia, the mechanism by which this simple molecule causes cancer has been problematic. A complicating factor is benzene metabolism, which produces many reactive intermediates, some specific to benzene and
Pingxi Xu et al.
Proceedings of the National Academy of Sciences of the United States of America, 111(46), 16592-16597 (2014-10-29)
Insect repellents are important prophylactic tools for travelers and populations living in endemic areas of malaria, dengue, encephalitis, and other vector-borne diseases. DEET (N,N-diethyl-3-methylbenzamide) is a 6-decade-old synthetic repellent, which is still considered the gold standard of mosquito repellents. Mosquitoes
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