1002-35-3

Basic information

• Product Name: 1.3.7-OCTATRIENE
• Synonyms: (3E)-1,3,7-Octatriene;alpha-Ocimene;octa-1,3,7-triene
• CAS NO: 1002-35-3
• Molecular Formula: C₈H₁₂
• Molecular Weight: 108.18088
• EINECS: 213-686-3
• Mol File: 1002-35-3.mol
• Article Data: 32

Chemical Properties

• Boiling Point: 124.5°C at 760 mmHg
• Flash Point: 14.5°C
• Appearance: /
• Density: 0.749g/cm³
• Vapor Pressure: 15.3mmHg at 25°C
• Refractive Index: 1.447
• CAS DataBase Reference: 1.3.7-OCTATRIENE(CAS DataBase Reference)
• NIST Chemistry Reference: 1.3.7-OCTATRIENE(1002-35-3)
• EPA Substance Registry System: 1.3.7-OCTATRIENE(1002-35-3)

Safety Data

• Hazardous Substances Data: 1002-35-3(Hazardous Substances Data)

Usage

Synthesis Reference(s)

Journal of the American Chemical Society, 89, p. 6793, 1967 DOI: 10.1021/ja01001a089

InChI:InChI=1/C8H12/c1-3-5-7-8-6-4-2/h3-5,7H,1-2,6,8H2

Upstream product

• 591-93-5 1,4-Pentadiene 
• 107-05-1 3-chloroprop-1-ene 
• 2100-17-6 4-pentenal 
• 18480-23-4 allyltriphenylphosphonium chloride 
• 106-99-0 buta-1,3-diene 
• 1001-93-0 1-bromopenta-2,4-diene 
• 106-95-6 allyl bromide 
• 802294-64-0 propionic acid 
• 110-63-4 Butane-1,4-diol 
• 40811-49-2 2-(1-methylethylthio)ethanol 
• 109-86-4 2-methoxy-ethanol 
• 18826-95-4 1.3-butanediol 
• 110-77-0 2-(ethylsulfanyl)ethanol 
• 22812-90-4 2-hydroxyethyl ethyl sulfide 

Downstream Products

• 111-65-9 octane 

Relevant articles and documents

A general and efficient method for the palladium-catalysed conversion of allylic alcohols into their corresponding dienes

A general method was established, converting a broad range of allylic alcohols directly and quantitatively into their corresponding dienes. The developed protocol allows the direct use of allylic alcohols, circumventing the need for their derivatisation into more reactive precursors, thereby minimising waste production with water as the sole co-product.

Synthesis of new telechelic polymers containing two OH groups at the same chain end using 8-boraindane/oxygen controlled radical initiator

The synthesis of telechelic polymers which contains two OH groups using 8-boraindane/oxygen controlled radical initiator was analyzed. It was observed that process is centered on bicycloborane compound which serve as functional initiator. In the polymeriz

TELOMERIZATION OF CONJUGATED DIENES AND TRIENES WITH PYRAZOLINES CATALYSED BY PALLADIUM COMPLEXES

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Comparison between phosphine and NHC-modified Pd catalysts in the telomerization of butadiene with methanol - A kinetic study combined with model-based experimental analysis

The telomerization of butadiene with methanol was investigated in the presence of different palladium catalysts modified either with triphenylphosphine (TPP) or 1,3-dimesityl-imidazol-2-ylidene (IMes) ligand. When pure butadiene was used as substrate, a m

Telomerization of 1,3-Butadiene with Carbon Dioxide: A Highly Efficient Process for δ-Lactone Generation

A very efficient and selective telomerization of 1,3-butadiene with CO2 that leads to the δ-lactone (3-ethylidene-6-vinyltetrahydro-2H-pyran-2-one) was obtained using palladium acetate and tris(p-methoxyphenyl)phosphine as a catalyst in the presence of p-hydroquinone, N,N-diisopropylethylamine, and acetonitrile. A high turnover number of 4500 with 96 % selectivity to the δ-lactone was obtained after 5 h reaction at 70 °C. The reaction was deactivated by the presence of different 1,3-dialkylimidazolium ionic liquids, possibly by the formation of stable and inactive palladium-imidazole-2-ylidene carbenes.

The multiple roles of imidazolium ionic liquids in transition-metal catalysis: The palladium-catalyzed telomerization of 1,3-butadiene with acetic acid

The telomerization of 1,3-butadiene with acetic acid catalyzed by palladium(II) acetate associated with a series of phosphines in 3-(2-methoxyethyl)-1-methylimidazolium acetate was used to investigate the role of the ionic liquid. The ionic liquid plays multiple roles in this reaction as it acts as the solvent, stabilizer, ligand, and cocatalyst. The reaction performed in the presence of Dan2phos, a trifluoromethylated sulfonated triarylphosphine, at 100 °C for 24 h gave a turnover number of 14 600 with 89 % selectivity to telomers at 75 % 1,3-butadiene conversion and complete acetic acid conversion.

METHOD FOR PRODUCING 1,3,7-OCTATRIEN

PROBLEM TO BE SOLVED: To provide a method capable of industrially producing 1,3,7-octatrien at a high yield and also at high purity. SOLUTION: Provided is a method for producing 1,3,7-octatrien having: a step 1 where a product including 1,3,7-octatrien and acetic acid is obtained from 2,7-octadiene-1-ol acetate; and a step 2-A where the product obtained in the step 1 is contacted with water or a step 2-B where the product obtained in the step A is distilled together with water. SELECTED DRAWING: None COPYRIGHT: (C)2017,JPOandINPIT