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Safety Information

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:
1697090
EC Number:
209-926-1
MDL number:
MFCD00008896
UNSPSC Code:
12352100
PubChem Substance ID:
24846867
NACRES:
NA.22
Assay:
97%

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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Product No.
Description
Pricing

Signal Word

Danger

Hazard Statements

H225,H304,H315,H319,H335

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 1 petroleums
Hazardous rank II
Water insoluble liquid

JAN Code

110930-BULK:
110930-5G:
110930-1G:
110930-VAR:
110930-250MG:

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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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