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Safety Information

227226

Sigma-Aldrich

1-(Trimethylsiloxy)-1,3-butadiene

98%

Synonym(s):

(1,3-Butadien-1-yloxy)trimethylsilane, (1,3-Butadienyloxy)trimethylsilane, (Butadienyloxy)trimethylsilane, 1-(Trimethylsiloxy)butadiene, 1-[(Trimethylsilyl)oxy]-1,3-butadiene, 1-[(Trimethylsilyl)oxy]butadiene

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About This Item

Linear Formula:
(CH3)3SiOCH=CHCH=CH2
CAS Number:
6651-43-0
Molecular Weight:
142.27
Beilstein:
1902024
MDL number:
MFCD00009647
UNSPSC Code:
12352100
PubChem Substance ID:
24853620
NACRES:
NA.22

Assay

98%

form

liquid

refractive index

n20/D 1.448 (lit.)

bp

131 °C (lit.)

density

0.811 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

C[Si](C)(C)O\C=C\C=C

InChI

1S/C7H14OSi/c1-5-6-7-8-9(2,3)4/h5-7H,1H2,2-4H3/b7-6+

InChI key

UQGOYQLRRBTVFM-VOTSOKGWSA-N

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General description

Mechanism of Diels-Alder reaction between 1-(trimethylsiloxy)-1,3-butadiene and 4,6-dinitrobenzofuroxan has been studied using state-of-the-art computational methods.

Application

1-(Trimethylsiloxy)-1,3-butadiene is commonly employed as diene in the Diels-Alder reaction.

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Warning

Hazard Statements

H226,H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

77.0 °F - closed cup

Flash Point(C)

25 °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 2 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

227226-VAR:
227226-50G:
227226-10G:
227226-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
BGBB6912
1429951
04930HJ
01819HJ
11113JD

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Mats Linder et al.
Organic letters, 14(1), 118-121 (2011-12-01)
The stepwise Diels-Alder reaction between 1-trimethylsiloxy-1,3-butadiene and 4,6-dinitrobenzofuroxan is explored using state-of-the-art computational methods. The results support a stepwise mechanism via a persistent intermediate, however, not the one previously reported (Lakhdar et al., Chem. Eur. J.2007, 16, 5681) but a

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