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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:
Molecular Weight:
68.12
Beilstein:
1697090
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

vapor pressure

6.87 psi ( 20 °C)

Quality Level

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.

Signal Word

Danger

Hazard Statements

Hazard Classifications

Asp. Tox. 1 - Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

10.4 °F - closed cup

Flash Point(C)

-12 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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

Global Trade Item Number

SKUGTIN
M48805-100G
M48805-100ML4061834059271
M48805-500ML
M48805-5G
W270709-1KG
W270709-20KG
W270709-800G
W270709-8KG-K4061837516160
W270709-SAMPLE-K4061838180889
W270733-SAMPLE
M48805-5ML4061834059288
67397-1ML4061832735559
M48805-500G
W270709-1KG-K4061838249067
W270709-20KG-K4061838180865
W270709-800G-K
W270709-8KG
W270709-SAMPLE
W270733-100G
W270733-100G-K4061838180896
W270733-1KG
W270733-1KG-K4061838180902
W270733-SAMPLE-K4061838180926
W270733-25G
W270733-25G-K4061838180919

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