Cas no 25493-17-8 (1-Butan-d9-ol)
1-Butan-d9-ol (C4D9OH) is a deuterated analog of 1-butanol, where all nine hydrogen atoms are replaced with deuterium. This isotopic labeling enhances its utility in NMR spectroscopy, providing distinct spectral signals for precise structural analysis. Its high isotopic purity (>98%) ensures minimal interference in kinetic and mechanistic studies, making it valuable in organic chemistry research and pharmaceutical applications. The compound’s stability and compatibility with standard laboratory protocols further support its use as a tracer or internal standard in mass spectrometry and reaction monitoring. 1-Butan-d9-ol is particularly advantageous for investigating hydrogen-deuterium exchange processes and metabolic pathways.
1-Butan-d9-ol structure
Product Name:1-Butan-d9-ol
CAS No:25493-17-8
MF:C4H10O
MW:74.1216000000001
CID:254055
PubChem ID:54048623
Update Time:2025-10-12
1-Butan-d9-ol Chemical and Physical Properties
Names and Identifiers
-
- 1-Butan-1,1,2,2,3,3,4,4,4-d9-ol(9CI)
- 1-Butan-d9-ol
- < 1,1,2,2,3,3,4,4,4-D9> Butanol
- 1,1,2,2,3,3,4,4,4-nonadeuterio-butan-1-ol
- 1,1,2,2,3,3,4,4,4-nonadeuteriobutanol
- Butyl-d9 alcohol
- D9-1-butanol
- Perdeuterio-butan-1-ol
- d9-butanol
- J-016019
- A935339
- D98241
- n-Butyl-d9 Alcohol
- (?H?)butan-1-ol
- DTXSID20708652
- 1,1,2,2,3,3,4,4,4-nonadeuteriobutan-1-ol
- (~2~H_9_)Butan-1-ol
- DB-309570
- Butan-d9-1-ol
- 1-Butan-d9-ol, 98 atom % D
- N-BUTANOL (D9, 98%)
- 25493-17-8
-
- Inchi： InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3/i1D3,2D2,3D2,4D2
- InChI Key： LRHPLDYGYMQRHN-YNSOAAEFSA-N
- SMILES： [2H]C(C(C(C(O)([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H]
Computed Properties
- Exact Mass: 83.13
- Monoisotopic Mass: 83.13
- Isotope Atom Count: 9
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 5
- Rotatable Bond Count: 2
- Complexity: 13.1
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 20.2A^2
Experimental Properties
- Color/Form: No data avaiable
- Density: 0.907?g/mL?at 25?°C
- Melting Point: -90?°C(lit.)
- Boiling Point: 116-118?°C(lit.)
- Flash Point: 35?°C
- PSA: 20.23000
- LogP: 0.77880
- Vapor Pressure: No data available
1-Butan-d9-ol Security Information
- Signal Word：Danger
- Hazard Statement： H226 (100%) H302 (100%) H315 (100%)
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Hazardous Material transportation number：UN 1120 3/PG 3
- WGK Germany：1
- Hazard Category Code： 10-22-37/38-41-67
- Safety Instruction： 13-26-37/39-46-7/9
-
Hazardous Material Identification：
- Risk Phrases：R10
- Storage Condition：Store at 4 ° C, -4 ° C is better
1-Butan-d9-ol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 615099-5G |
1-Butan-d9-ol |
25493-17-8 | 5g |
￥7840.05 | 2023-12-02 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | SA03444-5g |
1,1,2,2,3,3,4,4,4-nonadeuteriobutan-1-ol |
25493-17-8 | 99% (CP) | 5g |
￥9988.0 | 2024-07-18 | |
| TRC | B689972-10mg |
1-Butan-d9-ol |
25493-17-8 | 10mg |
$ 75.00 | 2023-09-08 | ||
| TRC | B689972-100mg |
1-Butan-d9-ol |
25493-17-8 | 100mg |
$ 138.00 | 2023-09-08 | ||
| TRC | B689972-250mg |
1-Butan-d9-ol |
25493-17-8 | 250mg |
$ 224.00 | 2023-09-08 | ||
| TRC | B689972-500mg |
1-Butan-d9-ol |
25493-17-8 | 500mg |
$ 339.00 | 2023-04-18 | ||
| TRC | B689972-1g |
1-Butan-d9-ol |
25493-17-8 | 1g |
$ 442.00 | 2023-04-18 | ||
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | D874379-1g |
1-Butan-d9-ol |
25493-17-8 | ≥98 atom % D | 1g |
￥3,180.00 | 2022-01-12 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | D874379-5g |
1-Butan-d9-ol |
25493-17-8 | ≥98 atom % D | 5g |
￥9,880.00 | 2022-01-12 | |
| Aaron | AR00BF7D-5g |
1-BUTAN-D9-OL |
25493-17-8 | 5g |
$1067.00 | 2023-12-14 |
1-Butan-d9-ol Related Literature
-
Anett Juhász,üneri Haymana Serra,Csilla Lakatos,Bence Vadkerti,Anita Rágyanszki,?d?n Farkas,Sándor Kéki,Lajos Nagy New J. Chem. 2023 47 16096
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