3016-19-1

Basic information

• Product Name: 2,6-DIMETHYL-2,4,6-OCTATRIENE
• Synonyms: (4e,6e)-allocimene;(4e,6e)-alloocimene;(e,e)-2,6-dimethyl-2,4,6-octatriene;(E,E)-alloocimene;2,6-Dimethyl-octa-2,4,6-triene, trans;2,6-dimethyl-octa-2,4trans,6trans-triene;4,6-Octatriene,2,6-dimethyl-,(E,E)-2;4-trans-6-trans-alloocimene
• CAS NO: 3016-19-1
• Molecular Formula: C₁₀H₁₆
• Molecular Weight: 136.23
• EINECS: 211-614-5
• Mol File: 3016-19-1.mol
• Article Data: 8

Chemical Properties

• Melting Point: -35.4°C
• Boiling Point: 73-75 °C14 mm Hg(lit.)
• Flash Point: 156 °F
• Appearance: /
• Density: 0.811 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.816mmHg at 25°C
• Refractive Index: n20/D 1.542(lit.)
• CAS DataBase Reference: 2,6-DIMETHYL-2,4,6-OCTATRIENE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,6-DIMETHYL-2,4,6-OCTATRIENE(3016-19-1)
• EPA Substance Registry System: 2,6-DIMETHYL-2,4,6-OCTATRIENE(3016-19-1)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 23-24/25
• WGK Germany: 3
• RTECS: RH2010000
• F: 10-23
• Hazardous Substances Data: 3016-19-1(Hazardous Substances Data)

Usage

Purification Methods

Fractionally distil allocimene through an efficient column and repeatedly distil it at 15mm through a long column of glass helices, with a final distillation from sodium under nitrogen. It should be stabilised with ca 0.1% of hydroquinone. UV: max nm( 
1cm-1) 290 (32 500), 279 (41 900) and 278 (42,870). [Alder et al. Justus Liebigs Ann Chem 609 1 1957, O’Connor & Goldblatt Anal Chem 26 1726 1954, Beilstein 1 IV 1106.]

InChI:InChI=1/C10H16/c1-5-10(4)8-6-7-9(2)3/h5-8H,1-4H3/b8-6+,10-5+

Upstream product

• 796852-58-9 2,6-dimethyl-oct-4-yne-3,6-diol 
• 78-70-6 3,7-dimethylocta-1,6-dien-3-ol 
• 80-56-8 Pinene 
• 7216-56-0 4E,6Z-alloocimene 
• 673-84-7 cis-alloocimene 
• 17202-19-6 2,6-dimethyloctatriene-2,cis-4,cis-6 
• 7785-70-8 (+)-α-pinene 
• 3016-19-1 (E,E)-2,6-dimethyl-2,4,6-octatriene 
• 13877-91-3 3,7-Dimethyl-octa-1,3,6-trien 
• 3338-55-4 (Z)-ocimene 
• 80-56-8 rac-α-pinene 
• 7785-26-4 (-)-α-pinene 
• 7553-56-2 iodine 
• 2609-23-6 (E)-3,7-dimethyl-2,6-octadien 

Downstream Products

• 92368-84-8 4,5,6-trimethyl-2-(2-methyl-propenyl)-cyclohex-3-enecarbaldehyde 
• 2225-85-6 (3RS,6RS,7RS)-2,3;6,7-diepoxy-2,6-dimethyl-oct-4t-ene 
• 2225-85-6 (3RS,6RS,7SR)-2,3;6,7-diepoxy-2,6-dimethyl-oct-4t-ene 
• 1148-41-0 3,4-dimethyl-6-(2-methyl-propenyl)-cyclohex-4-ene-1,2-dicarboxylic acid 
• 106593-26-4 4,5-dimethyl-2-(2-methyl-propenyl)-cyclohex-3-enecarbaldehyde 
• 673-84-7 cis-alloocimene 
• 17202-19-6 2,6-dimethyloctatriene-2,cis-4,cis-6 
• 7216-56-0 4E,6Z-alloocimene 
• 3016-19-1 (E,E)-2,6-dimethyl-2,4,6-octatriene 
• 13877-91-3 3,7-Dimethyl-octa-1,3,6-trien 
• 10035-10-6 hydrogen bromide 
• 78-79-5 isoprene 
• 64-18-6 formic acid 
• 431-03-8 dimethylglyoxal 

Relevant articles and documents

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Kinetic and mechanistic study on the thermal isomerization of ocimene in the liquid phase

The rate of thermal isomerization of ocimene in the liquid phase has been investigated in the range 90-150°C. The rate constant for the disappearance of ocimene may be expressed by k=1.3×1010e -11994.2/T(min-1), from which we can infer that the activation energy is 99.7kJmol-1 and the pre-exponential factor is 1.3×1010min-1. The half-life for the disappearance of ocimene may be expressed by t1/2=5.2×10-11e 11994.2/T(min). The conclusion has been supported by the study results that the ocimene is safe when temperature is below 100°C. A discussion of the mechanism concerning the conversion is included. Copyright

Fate of monoterpenes in near-critical water and supercritical alcohols assisted by microwave irradiation

The rearrangement of α- and β-pinene was studied under microwave irradiation in near-critical water and supercritical lower aliphatic alcohols, with the aim of identifying the pathway of α- and β-pinene isomerization. Generally, two pathways occur, pyroly