268976
3-Methyl-1,3-pentadiene, mixture of cis and trans
98%
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About This Item
Linear Formula:
CH3CH=C(CH3)CH=CH2
CAS Number:
Molecular Weight:
82.14
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Product Name
3-Methyl-1,3-pentadiene, mixture of cis and trans, 98%
InChI
1S/C6H10/c1-4-6(3)5-2/h4-5H,1H2,2-3H3/b6-5+
SMILES string
C\C=C(/C)C=C
InChI key
BOGRNZQRTNVZCZ-AATRIKPKSA-N
assay
98%
form
liquid
refractive index
n20/D 1.451 (lit.)
bp
75-77 °C (lit.)
density
0.73 g/mL at 25 °C (lit.)
storage temp.
2-8°C
Quality Level
Related Categories
Application
3-Methyl-1,3-pentadiene was used in the synthesis of two major nitronic ester cycloadducts by the tin(IV)-catalyzed reaction with β-nitrostyrene in toluene.
signalword
Danger
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
3 - Flammable liquids
wgk
WGK 3
flash_point_f
-20.2 °F - closed cup
flash_point_c
-29 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
危险化学品
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Peter A Wade et al.
Beilstein journal of organic chemistry, 9, 2137-2146 (2013-11-10)
The tin(IV)-catalyzed reaction of β-nitrostyrene with (E)-3-methyl-1,3-pentadiene in toluene afforded two major nitronic ester cycloadducts in 27% and 29% yield that arise from the reaction at the less substituted diene double bond. Also present were four cycloadducts from the reaction
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