1607-00-7

Basic information

• Product Name: 1,3-Propanediol, 2,2-bis(hydroxymethyl)-, 1-nitrate
• Synonyms: 1,3-Propanediol, 2,2-bis(hydroxymethyl)-, 1-nitrate;pentaerythritol mononitrate
• CAS NO: 1607-00-7
• Molecular Formula: C₅H₁₁NO₆
• Molecular Weight: 181.14
• Mol File: 1607-00-7.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 299.1°Cat760mmHg
• Flash Point: 134.7°C
• Appearance: /
• Density: 1.475g/cm³
• Vapor Pressure: 0.000122mmHg at 25°C
• Refractive Index: 1.523
• CAS DataBase Reference: 1,3-Propanediol, 2,2-bis(hydroxymethyl)-, 1-nitrate(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Propanediol, 2,2-bis(hydroxymethyl)-, 1-nitrate(1607-00-7)
• EPA Substance Registry System: 1,3-Propanediol, 2,2-bis(hydroxymethyl)-, 1-nitrate(1607-00-7)

Safety Data

• Hazardous Substances Data: 1607-00-7(Hazardous Substances Data)

Usage

General Description

1,3-Propanediol, 2,2-bis(hydroxymethyl)-, 1-nitrate, also known as trimethylolethane trinitrate (TMETN), is a nitrate ester compound with the chemical formula C5H9N3O9. It is a highly explosive and powerful high-energy material with a high detonation velocity, making it suitable for use as a military explosive. TMETN has been used as a binding agent in explosive compositions, as well as in propellant and pyrotechnic formulations. It is considered a hazardous and potentially toxic material, and proper handling and storage procedures are required to prevent accidents and exposure to the substance.

InChI:InChI=1/C5H11NO6/c7-1-5(2-8,3-9)4-12-6(10)11/h7-9H,1-4H2

Upstream product

• 115-77-5 Pentaerythritol 
• 1607-17-6 pentrinitrol 
• 78-11-5 Pentaerythritol tetranitrate 
• 19184-65-7 2-(bromomethyl)-2-(hydroxymethyl)propane-1,3-diol 
• 1607-01-8 2,2-bis(hydroxymethyl)propane-1,3-diol dinitrate 

Downstream Products

• 89181-72-6 3,3-bis(nitratomethyl)oxetane 
• 2754-18-9 3,3-bis(hydroxymethyl)oxetane 
• 3513-81-3 2-(Hydroxymethyl)allyl alcohol 

Relevant articles and documents

Synthesis and study of organic nitrates of heterofunctional series 5. * Synthesis of 3,3-bis(hydroxymethyl)oxetane mono- and dinitrates and 2,2-bis(hydroxymethyl)propane-1,3-diol (pentaerythritol) mono- and dinitrates

New procedures were developed for the synthesis of 3,3-bis(hydroxymethyl) oxetane dinitrate (1) by O-nitration of the corresponding glycol (3) or its mononitrate (6), which were prepared by the reactions of 2,2-bis(hydroxymethyl) propane-1,3-diol (pentaerythritol) (2) mono- (4) and dinitrates (5), respectively, with alkali. A new method was devised for the synthesis of compounds 4 and 5 by the reaction of tetraol 2 with concentrated HNO 3 in dichloroethane. The structures of compounds 1 and 6 were established by X-ray diffraction analysis.

USE OF NITROOXY ORGANIC MOLECULES IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE

The present invention relates to a method for reducing the production of methane emanating from the digestive activities of a ruminant and/or for improving ruminant animal performance by using, as active compound at least one organic molecule substituted at any position with at least one nitrooxy group, or a salt thereof, which is administrated to the animal together with the feed. The invention also relates to the use of these compounds in feed and feed additives such as premix, concentrates and total mixed ration (TMR) or in the form of a bolus.

NO donors. Part 16: Investigations on structure-activity relationships of organic mononitrates reveal 2-nitrooxyethylammoniumnitrate as a high potent vasodilator

The vasoactive properties of 14 organic mononitrates were investigated in vitro using PGF2α-precontracted porcine pulmonary arteries. A surprisingly wide range of vasorelaxant potencies was observed (pD2: 3.36-7.50). Activities showed to be highly sensitive to the molecular structure and the substituents at the molecular carrier of the nitrate group. A correlation between lipophilicity and vasorelaxant potency could not be recognized. 2-Nitrooxyethylammoniumnitrate (1) was found to be slightly superior to the high potency trinitrate GTN.