504-96-1

Basic information

• Product Name: 7,11,15-trimethyl-3-methylidene-hexadec-1-ene
• Synonyms: 7,11,15-trimethyl-3-methylidene-hexadec-1-ene;2-(4,8,12-Trimethyltridecyl)-1,3-butadiene;2-(4,8,12-Trimethyltridecyl)buta-1,3-diene;3-Methylene-7,11,15-trimethylhexadec-1-ene;7,11,15-Trimethyl-3-methylene-1-hexadecene;Neophytadiene;1,3-Butadiene, 2-(4,8,12-trimethyltridecyl)-;1-Hexadecene, 7,11,15-trimethyl-3-methylene-
• CAS NO: 504-96-1
• Molecular Formula: C₂₀H₃₈
• Molecular Weight: 278.52
• Product Categories: All Aliphatics;Aliphatics;Inhibitors
• Mol File: 504-96-1.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 344.5°Cat760mmHg
• Flash Point: 160.2°C
• Appearance: /
• Density: 0.796g/cm³
• Vapor Pressure: 0.00013mmHg at 25°C
• Refractive Index: 1.449
• Storage Temp.: -20°C Freezer
• Solubility: Benzene (Slightly), Chloroform (Soluble), Ethyl Acetate (Slightly), Hexanes (Spa
• Stability: Light Sensitive, Temperature Sensitive
• CAS DataBase Reference: 7,11,15-trimethyl-3-methylidene-hexadec-1-ene(CAS DataBase Reference)
• NIST Chemistry Reference: 7,11,15-trimethyl-3-methylidene-hexadec-1-ene(504-96-1)
• EPA Substance Registry System: 7,11,15-trimethyl-3-methylidene-hexadec-1-ene(504-96-1)

Safety Data

• Hazardous Substances Data: 504-96-1(Hazardous Substances Data)

Usage

Chemical Properties

Colorless Liquid

Uses

Different sources of media describe the Uses of 504-96-1 differently. You can refer to the following data:
1. Enzyme inhibitor. This product contains up 15% hexanes and up to 5% of the analogous dimer by NMR
2. Enzyme inhibitor.This product contains up 15% hexanes and up to 5% of the analogous dimer by NMR.

InChI:InChI=1/C20H38/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,17,19-20H,1,4,8-16H2,2-3,5-6H3

Upstream product

• 253686-88-3 (E)-3,7,11,15-tetramethylhexadec-2-en-1-ol 
• 24034-73-9 Geranylgeraniol 
• 500996-28-1 geranylgeraniol-2,3-epoxide 
• 107438-44-8 [3-methyl-3-(4,8,12-trimethyl-tridecyl)-oxiranyl]-methanol 

Downstream Products

• 67669-06-1 1-(4,8,12-Trimethyl-tridecyl)-4-(1,5,9,13-tetramethyl-tetradecyl)-benzol 
• 129178-25-2 1-(4,8,12-Trimethyl-tridecyl)-3-(1,5,9,13-tetramethyl-tetradecyl)-benzol 

Relevant articles and documents

Development of synthetic routes to D,L-α-tocopherol (vitamin E) from biologically produced geranylgeraniol

The use of the biologically derived diterpene alcohol geranylgeraniol was explored as an alternative to petrochemical-based isophytol as a side-chain synthon for producing D,L-α-tocopherol. Two routes were studied, both of which begin with allylic epoxidation followed by olefin hydrogenation to give epoxyphytol. Epoxyphytol can be reduced with Red-Al to provide phytan-1,3-diol which upon acid-catalyzed condensation with trimethylhydroquinone gives vitamin E in fair yield. In a higher-yielding process, epoxyphytol was deoxygenated with methylrhenium trioxide/triphenylphosphine to generate a mixture of phytol and isophytol (> 90% yield from geranylgeraniol). This mixture can serve as a "plug-in" replacement for isophytol in the final step of the currently practiced vitamin E chemistry. The use of methylrhenium trioxide to catalyse dehydration of vinyl dialkyl carbinols to 1,3-dienes was also demonstrated.