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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 Segment
assay
≥95.0%
refractive index
n
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
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