110930
3-Methyl-1,2-butadiene
97%
Synonym(s):
1,1-Dimethylallene
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About This Item
Linear Formula:
(CH3)2C=C=CH2
CAS Number:
Molecular Weight:
68.12
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
209-926-1
Beilstein/REAXYS Number:
1697090
MDL number:
Assay:
97%
assay
97%
InChI key
PAKGDPSCXSUALC-UHFFFAOYSA-N
InChI
1S/C5H8/c1-4-5(2)3/h1H2,2-3H3
SMILES string
CC(C)=C=C
vapor pressure
6.87 psi ( 20 °C)
refractive index
n20/D 1.419 (lit.)
bp
40-41 °C (lit.)
mp
−148 °C (lit.)
density
0.694 g/mL at 25 °C (lit.)
storage temp.
2-8°C
Quality Level
Related Categories
Application
3-Methyl-1,2-butadiene (1,1-dimethylallene) has been used to study the photo-induced reaction of 1,1-dimethylallene with the cyanoarenes 1,2,4,5-tetracyanobenzene, 1,4-dicyanobenzene and 1,4-dicyanonaphthalene in the presence of methanol as nucleophile.
signalword
Danger
hcodes
Hazard Classifications
Asp. Tox. 1 - Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
3 - Flammable liquids
wgk
WGK 3
flash_point_f
10.4 °F - closed cup
flash_point_c
-12 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves
Regulatory Information
危险化学品
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The electron transfer photochemistry of allenes with cyanoarenes. Photochemical nucleophile?olefin combination, aromatic substitution (photo-NOCAS) and related reactions.
Mangion D, et al.
J. Chem. Soc. Perkin Trans. II, 1, 48-60 (2001)
Shaochen Zhang et al.
Science (New York, N.Y.), 364(6435), 45-51 (2019-04-06)
Accessing enantiomerically enriched amines often demands oxidation-state adjustments, protection and deprotection processes, and purification procedures that increase cost and waste, limiting applicability. When diastereomers can be formed, one isomer is attainable. Here, we show that nitriles, largely viewed as insufficiently
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