6181-08-4

Basic information

• Product Name: ETHANOL-2-D1
• Synonyms: ETHANOL-2-D1;ETHYL-2-D1 ALCOHOL
• CAS NO: 6181-08-4
• Molecular Formula: C₂H₆O
• Molecular Weight: 47.07
• Mol File: 6181-08-4.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 407.3°C at 760 mmHg
• Flash Point: 200.1°C
• Appearance: /
• Density: 1.288g/cm³
• Vapor Pressure: 7.64E-07mmHg at 25°C
• Refractive Index: 1.597
• CAS DataBase Reference: ETHANOL-2-D1(CAS DataBase Reference)
• NIST Chemistry Reference: ETHANOL-2-D1(6181-08-4)
• EPA Substance Registry System: ETHANOL-2-D1(6181-08-4)

Safety Data

• Hazardous Substances Data: 6181-08-4(Hazardous Substances Data)

Usage

Uses

Ethyl-2-d1 Alcohol (CAS# 6181-08-4) is a useful isotopically labeled research compound.

InChI:InChI=1/C17H17FN2O4/c1-2-3-10-24-14-7-4-12(5-8-14)17(21)19-13-6-9-15(18)16(11-13)20(22)23/h4-9,11H,2-3,10H2,1H3,(H,19,21)

Upstream product

• 50-99-7 D-glucose 
• 75-21-8 oxirane 

Downstream Products

• 23705-67-1 1-bromoethane-2-d1 

Relevant articles and documents

Bioconversion of D-glucose in heavy water: Effect of water isotopomeric composition on deuterium fragment distribution in ethanol

The relative distribution of deuterium between methyl and methylene groups in ethanol at the bioconversion of D-glucose in heavy water was studied.

Metastable Decompositions of C5H10O+. Ions with the Oxygen on the Middle Carbon: A Test for Energy Randomization

This study was undertaken to define the mechanisms of metastable decomposition of C5H10O+. ions with the oxygen on the middle carbon, and to test the assumption that internal energy becomes randomly distributed prior to the unimolecular decompositions of gaseous ions.CH3CH2C(=OH+)CH2CH2. (2), CH3CH2C(=OH+).CHCH3 (3), and CH3CH2C(OH+.)HCH=CH2 (4) all rearrange to CH3CH2C(=O+.)CH2CH3 (1) prior to metastable decomposition.However, 2 - 4 lose ethyl 50 - 100 times as often as they lose ethane following rearrangement to 1, while 1 formed by ionization of 3-pentanone loses exclusively ethane.These differences are attributed to excess energy in the isomerized ions. 3-Pentanone ions formed by isomerization of 2 - 4 lose ethyl and ethane from opposite sides at unequal rates, possibly owing to incomplete randomization of energy following isomerization.