126551
2,4-Dimethyl-1,3-pentadiene
98%
Synonym(s):
1,1,3-Trimethylbutadiene, 2,4-Dimethylpenta-2,4-diene
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About This Item
Linear Formula:
(CH3)2C=CHC(CH3)=CH2
CAS Number:
Molecular Weight:
96.17
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
vapor pressure
67 mmHg ( 37.7 °C)
Assay
98%
form
liquid
refractive index
n20/D 1.441 (lit.)
bp
94 °C (lit.)
density
0.744 g/mL at 25 °C (lit.)
SMILES string
C\C(C)=C\C(C)=C
InChI
1S/C7H12/c1-6(2)5-7(3)4/h5H,1H2,2-4H3
InChI key
CMSUNVGIWAFNBG-UHFFFAOYSA-N
Application
2,4-Dimethyl-1,3-pentadiene has been used to study the structure of its various conformational isomers and their vibrational spectra.
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
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)
50.0 °F - closed cup
Flash Point(C)
10 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
危险化学品
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Damir Barisic et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 25(18), 4821-4832 (2019-02-05)
Targeting the synthesis of rare-earth-metal pentadienyl half-sandwich tetramethylaluminate complexes, homoleptic [Ln(AlMe4 )3 ] (Ln=Y, La, Ce, Pr, Nd, Lu) were treated with equimolar amounts of the potassium salts K(2,4-dmp) (2,4-dmp=2,4-dimethylpentadienyl), K(2,4-dipp) (2,4-dipp=2,4-diisopropylpentadienyl), and K(2,4-dtbp) (2,4-dtbp=2,4-di-tert-butylpentadienyl). The reactions involving the larger
B Zhao et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 56(4), 671-679 (2000-05-04)
Ab initio was used to study the structure of various conformational isomers and their vibrational spectra of 2,4-dimethyl-1,3-pentadiene (2,4-PD) in detail. Two stable conformations, s-trans and s-cis, were found in which s-trans is more stable. The geometry of stable conformations
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