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Key Documents

110701

Sigma-Aldrich

4,4-Dimethyl-1-pentene

99%

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About This Item

Linear Formula:
CH2=CHCH2C(CH3)3
CAS Number:
Molecular Weight:
98.19
Beilstein/REAXYS Number:
1731848
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

vapor pressure

231 mmHg ( 37.7 °C)

Quality Level

assay

99%

refractive index

n20/D 1.392 (lit.)

bp

72 °C (lit.)

density

0.683 g/mL at 25 °C (lit.)

SMILES string

CC(C)(C)CC=C

InChI

1S/C7H14/c1-5-6-7(2,3)4/h5H,1,6H2,2-4H3

InChI key

KLCNJIQZXOQYTE-UHFFFAOYSA-N

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Related Categories

General description

4,4-Dimethyl-1-pentene is obtained by the S(N)2′ attack of the organolithium on allyl ether.

pictograms

FlameHealth hazard

signalword

Danger

Hazard Classifications

Asp. Tox. 1 - Flam. Liq. 2

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, type ABEK (EN14387) respirator filter


Certificates of Analysis (COA)

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Bailey et al.
Organic letters, 2(4), 489-491 (2000-05-18)
[reaction: see text] Allylic ethers are converted to the corresponding alcohol or phenol in virtually quantitative yield at temperatures below ambient simply by stirring a hydrocarbon solution of the ether with 1 molar equiv of tert-butyllithium. The reaction, which produces

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