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126551

Sigma-Aldrich

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
EC Number:
213-677-4
MDL number:
MFCD00008903
UNSPSC Code:
12352100
PubChem Substance ID:
24847734
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.

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Statements

H225,H315,H319,H335

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 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 1 petroleums
Hazardous rank II
Water insoluble liquid

JAN Code

126551-25G:
126551-5G:
126551-VAR:
126551-BULK:

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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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