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2,4-Dimethyl-1,3-pentadiene

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Name

2,4-Dimethyl-1,3-pentadiene

EINECS 213-677-4
CAS No. 1000-86-8 Density 0.726 g/cm3
PSA 0.00000 LogP 2.52870
Solubility N/A Melting Point -114℃
Formula C7H12 Boiling Point 93.2 °C at 760 mmHg
Molecular Weight 96.1723 Flash Point 10 °C
Transport Information UN 3295 3/PG 2 Appearance clear colorless to light yellow liquid
Safety 16-26-36/37/39 Risk Codes 11-36/37/38
Molecular Structure Molecular Structure of 1000-86-8 (2,4-DIMETHYL-1,3-PENTADIENE) Hazard Symbols FlammableF; IrritantXi
Synonyms

1,1,3-Trimethylbutadiene;2,4-Dimethylpenta-2,4-diene;NSC 123451;2,4-Dimethylpenta-1,3-diene;

Article Data 47

2,4-Dimethyl-1,3-pentadiene Specification

The 1,3-Pentadiene,2,4-dimethyl-, with the CAS registry number 1000-86-8 and EINECS registry number 213-677-4, has the systematic name of 2,4-dimethylpenta-1,3-diene. It is a kind of clear colorless to light yellow liquid, and belongs to the following product categories: Acyclic; Alkenes; Organic Building Blocks. And the molecular formula of the chemical is C7H12.

The characteristics of 1,3-Pentadiene,2,4-dimethyl- are as followings: (1)ACD/LogP: 3.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.49; (4)ACD/LogD (pH 7.4): 3.49; (5)ACD/BCF (pH 5.5): 263.74; (6)ACD/BCF (pH 7.4): 263.74; (7)ACD/KOC (pH 5.5): 1882.3; (8)ACD/KOC (pH 7.4): 1882.3; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.426; (14)Molar Refractivity: 33.94 cm3; (15)Molar Volume: 132.3 cm3; (16)Polarizability: 13.45×10-24cm3; (17)Surface Tension: 19.7 dyne/cm; (18)Density: 0.726 g/cm3; (19)Flash Point: 10 °C; (20)Enthalpy of Vaporization: 31.92 kJ/mol; (21)Boiling Point: 93.2 °C at 760 mmHg; (22)Vapour Pressure: 56.8 mmHg at 25°C. 

Uses of 1,3-Pentadiene,2,4-dimethyl-: It can react with propenal to produce 2,2,4-trimethyl-cyclohex-3-enecarbaldehyde. This reaction will need reagent MeAlCl2, and the menstruum toluene. The reaction time is 1 hour with temperature of -78°C, and the yield is about 97%. 

You should be cautious while dealing with this chemical. It is a kind of flammable chemical, and irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Keep away from sources of ignition - No smoking; Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C=C(\C=C(/C)C)C
(2)InChI: InChI=1/C7H12/c1-6(2)5-7(3)4/h5H,1H2,2-4H3
(3)InChIKey: CMSUNVGIWAFNBG-UHFFFAOYAS

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