52985
cis-3-Hexene
≥95.0%
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About This Item
Empirical Formula (Hill Notation):
C6H12
CAS Number:
Molecular Weight:
84.16
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
1718858
Assay:
≥95.0%
Quality Level
assay
≥95.0%
refractive index
n20/D 1.395
bp
66-68 °C (lit.)
density
0.681 g/mL at 20 °C (lit.)
SMILES string
CC\C=C/CC
InChI
1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3/b6-5-
InChI key
ZQDPJFUHLCOCRG-WAYWQWQTSA-N
General description
cis-3-Hexene is a symmetrical cis-disubstituted alkene that can be prepared by the hydroboration of 3-hexyne followed by protonolysis. The gas-phase study of its molecular structure by electron diffraction combined with molecular mechanical calculations reveals the presence of the (+ac, +ac) and the (-ac, +ac) forms. cis-3-Hexene undergoes epoxidation with dimethyldioxirane to form the corresponding epoxide.
Application
cis-3-Hexene may be used in the preparation of 3-hexanol via asymmetric hydroboration with diisopinocampheylborane (Ipc2BH).
signalword
Danger
hcodes
Hazard Classifications
Asp. Tox. 1 - Eye Irrit. 2 - Flam. Liq. 2
Storage Class
3 - Flammable liquids
wgk
WGK 3
flash_point_f
-13.0 °F - closed cup
flash_point_c
-25 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
危险化学品
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The molecular structures of cis-3-hexene and trans-3-hexene in the gas phase by electron diffraction and molecular mechanical calculations.
Van HD, et al.
Journal of Molecular Structure, 74(1), 123-135 (1981)
Hydroboration. 61. Diisopinocampheylborane of high optical purity. Improved preparation and asymmetric hydroboration of representative cis-disubstituted alkenes.
Brown HC, et al.
The Journal of Organic Chemistry, 47(26), 5065-5069 (1982)
Hydroboration. XI. The hydroboration of acetylenes-A convenient conversion of internal acetylenes into cis-olefins and of terminal acetylenes into aldehydes
Brown HC and Zweifel G.
Journal of the American Chemical Society, 83(18), 3834-3840 (1961)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 52985-1ML | 04061832558424 |
| 52985-5ML | 04061837324345 |