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Water-18O

HCID 105142
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Basic information

CAS
14314-42-2
Standard SMILES
[18OH2]
InChIKey
XLYOFNOQVPJJNP-NJFSPNSNSA-N
Molecular formula
H2O
Average molar mass
20.015 g/mol
Monoisotopic mass
20.01480968

Overview

((18)O)water is a form of water consisting of two hydrogen atoms covalently bonded to an oxygen-18 atom. It is an isotopically modified compound and a water. It contains an oxygen-18 atom.

Names & identifiers

Preferred name
Water-18O
IUPAC
oxidane
English name
Water-18O
Molecular formula
H2O
Molecular weight
20.02

Names & synonyms

Water-18O14314-42-2Water O-18Water (H218O)7QV8F8BYNJWater, heavy (H218O)Water, labeled with oxygen-18RefChem:1101043heavy-oxygen waterheavy oxygenHEAVY WATER (H218O)UNII-7QV8F8BYNJ
Show more names
O18-WaterWater-1?O(18O)WaterWater-18<WATER(180,97%)18O, 97%]-water[18O,99%]-WaterHeavy Water 18OWATER (18O, 97%)
Oxygen, isotope of mass 18water-(18)OWater-18O, normalized((18)O)waterMFCD00064503H218OWater-18O, 98 atom % 18OAKOS015903635

Database identifiers

CAS
14314-42-2、14797-71-8
PubChem CID
105142
ChEBI
CHEBI:33813
UNII
7QV8F8BYNJ
Nikkaji
J135.237G

Properties

Computed structural properties

XLogP
-0.5
Topological polar surface area
1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
1
Formal charge
0
Complexity
0

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Melting point
0 °C · 0 °C(lit.)
Boiling point
100 °C · 100 °C(lit.)
Density
1.11 g/mL · 1.11 g/mL at 20 °C(lit.)
refractive index
20 D · n20D 1.33 (Predicted)
storage temp.
Inert atmosphere,Room Temperature
form
Colourless Liquid
color
Colorless to light yellow
PH
6 · 6.0-8.0
Stability
Hygroscopic
InChI
InChI=1S/H2O/h1H2/i1+2
InChIKey
XLYOFNOQVPJJNP-NJFSPNSNSA-N
SMILES
[18OH2]
FDA UNII
7 QV8F8BYNJ · 7QV8F8BYNJ

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

F
21
wgk
3
hs_code
28459000
safety_code
24/25
Storage Class
10 - Combustible liquids

Chemistry & industry

Applications · 3 items

DescriptionOnly 0.2% of the oxygen-18O isotope exists in atmospheric oxygen. The Water-18O is manufactured by enriching the oxygen-18O over 98 atom% and is used to produce the [18F]FDG *1 PET diagnostic reagent for cancer. Water enriched in the oxygen-18 isotope (Water-18O) is widely used in medicine, agrochemistry and biochemistry. Oxygen-18 was first enriched to 99.5% in 1943 using thermal diffusion. To date, the use of electrolysis, chemical isotope exchange, gas diffusion, and rectification of oxygen, nitric oxide, and water has been described to enrich water with oxygen-18. Among them, the method of rectification of water, first demonstrated in 1944, is successfully used now in industry.

UsesWater-18O, 97 atom % 18O is used in DNA stable isotope probing (SIP) to investigate microbial growth and death in environmental samples.

UsesWater-18O is an isotopically modified water, which is appropriate for PET applications.It can also be used:In paleoclimatology, hydrology, and plant ecology to determine soil stable oxygen isotope analysis of plant cellulose using δ18O.To determine the diffusion of moisture into crystals using secondary ion mass spectrometry (SIMS).

Preparation methods · 1 item

PreparationWater-18O (H₂¹⁸O), also known as ¹⁸O water, has the chemical registry number (CAS RN=14314-42-2) and a molecular weight of 18.02 g/mol. As early as 1943, Clusius and Dickel enriched 99.5% of oxygen-18 using a thermal dispersion method. The main methods for enriching deuterated water include: thermal dispersion, electrolysis, chemical conversion reaction, thermal diffusion, and water distillation. Currently, deuterated water is mainly produced through a redox reaction of H₂ and O₂ in the presence of a noble metal catalyst. O₂ is produced by electrolyzing double-standardized water (D₂O), while D₂O is obtained by distillation of natural water. Patents eNloo342955e and CN101618857B disclose a method for obtaining heavy oxygen water from natural water through distillation, electrolysis, and catalytic reaction. Its main feature is the use of platinum wire mesh or precious metal catalysts such as catalysts.

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
UNSPSC Code
12352303 · 12352303
NACRES
12 · NA.12
CAS Number Unlabeled
7732 · 7732-18-5
Safety Statements
24 · 24/25
WGK Germany
3 · 3
F
21 · 21
HS Code
28459000 · 28459000
Storage Class
10 · 10 - Combustible liquids

DefinitionChEBI: ((18)O)water is a form of water consisting of two hydrogen atoms covalently bonded to an oxygen-18 atom. It is a water and an isotopically modified compound. It contains an oxygen-18 atom.