4567-98-0

Basic information

• Product Name: DIMETHYL UNDECANEDIOATE
• Synonyms: Dimethyl ester of undecanedioic acid;Dimethylundecandioate;Undecanedioic acid, dimethyl ester;DIMETHYL 1 9-NONANEDICARBOXYLATE;DIMETHYL UNDECANEDIOATE;Nonanedicarboxylic acid dimethyl ester;DIMETHYL UNDECANEDIOATE 90-95%;dimethyl undecanoate
• CAS NO: 4567-98-0
• Molecular Formula: C₁₃H₂₄O₄
• Molecular Weight: 244.33
• EINECS: 224-943-4
• Product Categories: Building Blocks;C12 to C63;Carbonyl Compounds;Chemical Synthesis;Esters;Organic Building Blocks
• Mol File: 4567-98-0.mol
• Article Data: 12

Chemical Properties

• Melting Point: 17-19 °C
• Boiling Point: 123-124 °C2 mm Hg(lit.)
• Flash Point: 109°C
• Appearance: /
• Density: 0.983 g/mL at 20 °C(lit.)
• Vapor Pressure: 0.00244mmHg at 25°C
• Refractive Index: n20/D 1.440
• BRN: 1789014
• CAS DataBase Reference: DIMETHYL UNDECANEDIOATE(CAS DataBase Reference)
• NIST Chemistry Reference: DIMETHYL UNDECANEDIOATE(4567-98-0)
• EPA Substance Registry System: DIMETHYL UNDECANEDIOATE(4567-98-0)

Safety Data

• Safety Statements: S24/25:Avoid contact with skin and eyes.
• WGK Germany: 3
• Hazardous Substances Data: 4567-98-0(Hazardous Substances Data)

Usage

General Description

Dimethyl undecanedioate, also known as diisopropyl adipate, is a synthetic ester formed from the condensation of adipic acid and methanol. It is commonly used as a fragrance ingredient in various personal care and cosmetic products due to its ability to impart a pleasant scent. It is also utilized as a plasticizer in some polymer applications and as a solvent in the formulation of paints and coatings. Dimethyl undecanedioate is considered to be safe for use in cosmetics and personal care products when used in accordance with regulations and guidelines. However, prolonged or excessive exposure to this chemical may cause irritation to the skin, eyes, and respiratory system.

InChI:InChI=1/C13H24O4/c1-16-12(14)10-8-6-4-3-5-7-9-11-13(15)17-2/h3-11H2,1-2H3

Upstream product

• 67-56-1 methanol 
• 123-99-9 azelaic acid 
• 201230-82-2 carbon monoxide 
• 56700-77-7 (E,Z)-1,3-nonadiene 
• 14811-73-5 10-oxo-decanoic acid methyl ester 
• 112-39-0 hexadecanoic acid methyl ester 
• 141882-58-8 2-nitrocycloundecanone 
• 16323-26-5 1-Oxacyclododecan-2,11-dion 
• 186581-53-3 diazomethane 
• 1852-04-6 undecanedioic acid 
• 108-55-4 glutaric anhydride, 

Downstream Products

• 1852-04-6 undecanedioic acid 

Relevant articles and documents

Efficient Palladium-Catalyzed Carbonylation of 1,3-Dienes: Selective Synthesis of Adipates and Other Aliphatic Diesters

The dicarbonylation of 1,3-butadiene to adipic acid derivatives offers the potential for a more cost-efficient and environmentally benign industrial process. However, the complex reaction network of regioisomeric carbonylation and isomerization pathways, make a selective and direct transformation particularly difficult. Here, we report surprising solvent effects on this palladium-catalysed process in the presence of 1,2-bis-di-tert-butylphosphin-oxylene (dtbpx) ligands, which allow adipate diester formation from 1,3-butadiene, carbon monoxide, and methanol with 97 % selectivity and 100 % atom-economy under scalable conditions. Under optimal conditions a variety of di- and triesters from 1,2- and 1,3-dienes can be obtained in good to excellent yields.

Synthetic method of 1,9-diaminononane

The invention provides a synthetic method of 1,9-diaminononane. The method comprises the following steps: firstly, carrying out condensation reaction on undecanoic acid and transforming the undecanoicacid into a derivative of the undecanoic acid; then carrying out ammoniation to generate undecendiamide, and then carrying out Hofmann rearrangement reaction to generate a target product 1,9-diaminononane. The method disclosed by the invention has the advantages that raw materials are inexpensive and easily obtained and have a sufficient supply, and high-temperature and high-pressure reaction conditions are not involved, and a production process has more security. Compared with an abroad production technology, the synthetic method disclosed by the invention has the advantages of less side reaction, high purity of the product, less reaction steps and low requirement on equipment. Compared with a production process reported by domestic companies, the synthetic method has the advantages of less three wastes, and meanwhile, hydrogenation reaction is not involved, and the synthetic method has higher reaction security.

Metal/bromide autoxidation of triglycerides for the preparation of FAMES to improve the cold-flow characteristics of biodiesel

Triglyceride autoxidation using a homogeneous Co/Mn/Zr/bromide catalyst in acetic acid (93%) of low grade tallow, canola oil or soy bean oil in a batch reactor at 150 °C for 2 h, produced lower molecular weight products relative to the fatty acids of the starting triglycerides. For the autoxidation of tallow the main products after esterification were monoesters Me(CH 2)mC(O)OMe (m = 5-12) and diesters MeOC(O)(CH 2)nC(O)OMe, (n = 7-12). Oxidation of the saturated fatty acids in triglycerides was confirmed and modelled using methyl palmitate. Post-treatment esterification of tallow autoxidation products to produce biodiesel (BD) esters resulted in improved cold temperature properties by a mean of 13.0 °C, i.e. a mean cloud point (CP) 1.0 °C (cf. unmodified tallow biodiesel: CP 14 °C).