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110930

Sigma-Aldrich

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:
598-25-4
Molecular Weight:
68.12
Beilstein/REAXYS Number:
1697090
EC Number:
209-926-1
MDL number:
MFCD00008896
UNSPSC Code:
12352100
PubChem Substance ID:
24846867
NACRES:
NA.22

vapor pressure

6.87 psi ( 20 °C)

Quality Level

100

assay

97%

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

SMILES string

CC(C)=C=C

InChI

1S/C5H8/c1-4-5(2)3/h1H2,2-3H3

InChI key

PAKGDPSCXSUALC-UHFFFAOYSA-N

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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.

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Description
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Danger

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_germany

WGK 3

flash_point_f

10.4 °F - closed cup

flash_point_c

-12 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCP7972
MKCL3544
MKCC4453
MKBT8870V
MKBQ4062V

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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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