Cas no 17537-32-5 ((±)-1-Phenylethan-2,2,2-d3-ol)
(±)-1-Phenylethan-2,2,2-d3-ol is a deuterated analog of 1-phenylethanol, where three hydrogen atoms at the methyl group are replaced with deuterium. This isotopic labeling enhances its utility in mechanistic studies, kinetic isotope effect (KIE) investigations, and metabolic research, providing insights into reaction pathways and enzymatic processes. The compound retains the chemical properties of its non-deuterated counterpart while offering improved stability and traceability in mass spectrometry and NMR analyses. Its high isotopic purity ensures minimal interference in experimental results, making it a valuable tool for pharmaceutical and biochemical research. The racemic form allows for broad applicability in stereochemical studies and synthetic applications.
(±)-1-Phenylethan-2,2,2-d3-ol structure
Product Name:(±)-1-Phenylethan-2,2,2-d3-ol
CAS No:17537-32-5
MF:C8H10O
MW:125.182887554169
CID:137954
PubChem ID:24872651
Update Time:2025-05-28
(±)-1-Phenylethan-2,2,2-d3-ol Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanol, a-(methyl-d3)-
- 1-phenyl-(2-(2)H3)ethanol
- 1-Phenylethanol-2,2,2-d3
- 2,2,2-trideuterio-1-phenyl-ethanol
- 491284_ALDRICH
- A-d3 alcohol
- I14-39812
- sec-Phenethyl-
- (±)-1-Phenylethan--d3-ol
- 1-PHENYLETHAN-2,2,2-D3-OL
- sec-phenethyl-β,β,β-d3alcohol
- SEC-PHENETHYL-BETA BETA BETA-D3 ALCOHOL
- SEC-PHENETHYL-BETA,BETA,BETA-D3 ALCOHOL, 98 ATOM % D
- 2,2,2-trideuterio-1-phenylethanol
- 1-Phenyl(2,2,2-~2~H_3_)ethan-1-ol
- AKOS015910359
- D99432
- 1-Phenylethanol-2,2,2-d3, 98 atom % D
- DTXSID60575820
- 17537-32-5
- (±)-1-Phenylethan-2,2,2-d3-ol
-
- MDL： MFCD00084168
- Inchi： 1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/i1D3
- InChI Key： WAPNOHKVXSQRPX-FIBGUPNXSA-N
- SMILES： OC(C([2H])([2H])[2H])C1C=CC=CC=1
Computed Properties
- Exact Mass: 128.11082
- Monoisotopic Mass: 125.091995176g/mol
- Isotope Atom Count: 3
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 74.6
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Color/Form: Not determined
- Density: 1.036?g/mL?at 25?°C
- Melting Point: 19-20?°C (lit.)
- Boiling Point: 204?°C/745?mmHg(lit.)
- Flash Point: Fahrenheit: 186.8 ° f < br / > Celsius: 86 ° C < br / >
- Refractive Index: n20/D 1.532(lit.)
- PSA: 20.23
- Solubility: Not determined
(±)-1-Phenylethan-2,2,2-d3-ol Security Information
-
Symbol:
- Signal Word：Danger
- Hazard Statement： H302-H315-H318
- Warning Statement： P280-P301+P312+P330-P305+P351+P338+P310
- Hazardous Material transportation number：UN 2937 6.1/PG 3
- WGK Germany：3
- Hazard Category Code： 22-38-41
- Safety Instruction： 26-39
-
Hazardous Material Identification：
- Risk Phrases：R20/21/22
(±)-1-Phenylethan-2,2,2-d3-ol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | M226186-10mg |
(±)-1-Phenylethan-2,2,2-d3-ol |
17537-32-5 | 10mg |
$ 64.00 | 2023-09-07 | ||
| TRC | M226186-50mg |
(±)-1-Phenylethan-2,2,2-d3-ol |
17537-32-5 | 50mg |
$81.00 | 2023-05-18 | ||
| TRC | M226186-100mg |
(±)-1-Phenylethan-2,2,2-d3-ol |
17537-32-5 | 100mg |
$98.00 | 2023-05-18 | ||
| 1PlusChem | 1P00ABMM-100mg |
1-PHENYLETHAN-2,2,2-D3-OL |
17537-32-5 | 95% | 100mg |
$307.00 | 2024-06-19 | |
| 1PlusChem | 1P00ABMM-250mg |
1-PHENYLETHAN-2,2,2-D3-OL |
17537-32-5 | 95% | 250mg |
$354.00 | 2024-06-19 | |
| 1PlusChem | 1P00ABMM-1g |
1-PHENYLETHAN-2,2,2-D3-OL |
17537-32-5 | 95% | 1g |
$534.00 | 2024-06-19 |
(±)-1-Phenylethan-2,2,2-d3-ol Related Literature
-
Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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