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Merck
CN

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:
1000-86-8
Molecular Weight:
96.17
NACRES:
NA.22
PubChem Substance ID:
24847734
UNSPSC Code:
12352100
EC Number:
213-677-4
MDL number:
MFCD00008903
Assay:
98%
Form:
liquid

Key Documents

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Product Name

2,4-Dimethyl-1,3-pentadiene, 98%

InChI key

CMSUNVGIWAFNBG-UHFFFAOYSA-N

InChI

1S/C7H12/c1-6(2)5-7(3)4/h5H,1H2,2-4H3

SMILES string

C\C(C)=C\C(C)=C

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.)

Application

2,4-Dimethyl-1,3-pentadiene has been used to study the structure of its various conformational isomers and their vibrational spectra.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

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

50.0 °F - closed cup

flash_point_c

10 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
0000247432
0000246915
0000227570
0000227570
0000247432

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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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