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Diallyl

Diallyl structure

CAS No:
592-42-7
Formula:
C6H10
Chemical Name:
Diallyl
Synonyms:
1,5-Hexadiene;Biallyl;Diallyl;α,ω-Hexadiene;NSC 60690;41919-05-5
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

clear colorless to slightly yellow liquid

Liquid

Diallyl Basic Attributes

Molecular Weight：

82.14

Exact Mass：

82.14

BRN：

1731106

EC Number：

209-754-7

UNII：

4MTZ4764FI

NSC Number：

60690

DSSTox ID：

DTXSID4049323

HScode：

29012990

Characteristics

PSA：

XLogP3：

2.80

Appearance：

Liquid

Density：

0.7106 g/cm³ @ Temp: 0 °C

Melting Point：

-140.7 °C

Boiling Point：

59.4 °C

Flash Point：

−17 °F

Refractive Index：

1.412

Water Solubility：

soluble in water(0.17g/L).

Storage Conditions：

0-6°C

Vapor Pressure：

367 mm Hg ( 37.7 °C)

Explosive limit：

1.2-6.1%(V)

OH：

6.20e-11 cm3/molecule*sec

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 2458 3/PG 2

wgk germany：

hazard class code：

11-36/37/38-65

safety instructions：

16-62

RTECS Number：

MM1997800

Marks：

F,Xn

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P331, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, P501

Hazard Statements：

H225

GHS Classification：

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P331, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 136 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1,5-hexadiene

Diallyl Use and Manufacturing

Methods of Manufacturing

It is derived from the reaction of 3-chloro-1-propene and magnesium. Place magnesium scraps in the reaction flask, and then drop the solution of anhydrous 3-chloro-1-propene and anhydrous ether, then add a small particle of iodine and stir, add 5% cold hydrochloric acid solution dropwise to dissolve the magnesium chloride In the solution, the ether layer is separated, distilled, washed with water, dried with calcium chloride, and then distilled out of ether and 3-chloropropene through fractional distillation, and the fraction at 59-60°C is collected, which is 1, 5-hexadiene.

Uses

Used in organic synthesis. Used as a standard substance for chromatographic analysis.

Intermediates

Production

100,000 - 500,000 lb

Manufacturing Info：

All other basic inorganic chemical manufacturing|1,5-Hexadiene: ACTIVE

Computed Properties

Molecular Weight:82.14
XLogP3:2.9
Rotatable Bond Count:3
Exact Mass:82.078250319
Monoisotopic Mass:82.078250319
Heavy Atom Count:6
Complexity:36
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 592-42-7

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CAS No.: 592-42-7

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