2-(1,1,1,3,3,3-2H6)Propanol
2-(1,1,1,3,3,3-2H6)Propanol structure
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Common Name | 2-(1,1,1,3,3,3-2H6)Propanol | ||
|---|---|---|---|---|
| CAS Number | 3976-29-2 | Molecular Weight | 66.132 | |
| Density | 0.8±0.1 g/cm3 | Boiling Point | 73.0±3.0 °C at 760 mmHg | |
| Molecular Formula | C3H2D6O | Melting Point | -90ºC(lit.) | |
| MSDS | Chinese USA | Flash Point | 11.7±0.0 °C | |
| Symbol |
GHS02, GHS07 |
Signal Word | Danger | |
Summary: 2-Propyl-1,1,1,3,3,3-d6 (1,1,1,3,3,3-Hexadeuteriopropan-2-ol) is an organic compound with CAS number 3976-29-2, molecular formula C3H2D6O, and molecular weight 66.132. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1,1,1,3,3,3-hexadeuteriopropan-2-ol |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 0.8±0.1 g/cm3 |
|---|---|
| Boiling Point | 73.0±3.0 °C at 760 mmHg |
| Melting Point | -90ºC(lit.) |
| Molecular Formula | C3H2D6O |
| Molecular Weight | 66.132 |
| Flash Point | 11.7±0.0 °C |
| Exact Mass | 66.095177 |
| PSA | 20.23000 |
| LogP | 0.16 |
| Vapour Pressure | 81.3±0.2 mmHg at 25°C |
| Index of Refraction | 1.376 |
| InChIKey | KFZMGEQAYNKOFK-WFGJKAKNSA-N |
| SMILES | CC(C)O |
| Storage condition | 2-8°C |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS02, GHS07 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H225-H319-H336 |
| Precautionary Statements | P210-P305 + P351 + P338-P370 + P378-P403 + P235 |
| Hazard Codes | F: Flammable; |
| Risk Phrases | R11 |
| Safety Phrases | 7-16 |
| RIDADR | UN 1219 3/PG 2 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~94%
2-(1,1,1,3,3,3-... CAS#:3976-29-2 |
| Literature: Baldwin, Jack E.; Adlington, Robert M.; Crouch, Nicholas P.; Pereira, Ines A.C. Journal of Labelled Compounds and Radiopharmaceuticals, 1998 , vol. 41, # 12 p. 1145 - 1163 |
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2-(1,1,1,3,3,3-... CAS#:3976-29-2
Learn More
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| Literature: Moyer, Sara A.; Funk, Timothy W. Tetrahedron Letters, 2010 , vol. 51, # 41 p. 5430 - 5433 |
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2-(1,1,1,3,3,3-... CAS#:3976-29-2
Detail
Learn More
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| Literature: Yamashita, Masaru; Dai, Feng-Yuen; Suzuki, Minoru; Saito, Yasukazu Bulletin of the Chemical Society of Japan, 1991 , vol. 64, # 2 p. 628 - 634 |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Mass spectrometry in structural and stereochemical problems. CLXXXVIII. Electron impact induced behavior of branched ketones and esters, with special emphasis on hydrogen rearrangements. Eadon G and Djerassi C.
J. Am. Chem. Soc. 92(10) , 3084-3089, (1970)
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Vibrational and rotational spectra, conformations and ab initio calculations of thiocyanatoethene. Beukes JA, et al.
J. Raman Spectrosc. 26(8-9) , 799-812, (1995)
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Conformational analysis and vibrational spectra of isopropyl formate and some deuterated isotopomers. Rosas RL, et al.
J. Raman Spectrosc. 24(3) , 143-165, (1993)
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1,1,1,3,3,3-hexadeuterio-2-propanol |
| 2-Propanol-1,1,1,3,3,3-d6 |
| 2-(1,1,1,3,3,3-H)Propanol |
| Isopropanol-1,1,1,3,3,3-d6 |
| (1,1,1,3,3,3-H)Propan-2-ol |
| 2-propan-1,1,1,3,3,3-d6-ol |
| Isopropyl-1,1,1,3,3,3-d6 alcohol |
| Isopropanol-1,1,1,3,3,3-d6,Isopropyl-1,1,1,3,3,3-d6 alcohol |
| 2-Propan-1,1,1,3,3,3-d-ol |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of 1,1,1,3,3,3-hexadeuteriopropan-2-ol? |
| A: CAS number of 1,1,1,3,3,3-hexadeuteriopropan-2-ol is 3976-29-2. |
| Q: What English synonyms does 1,1,1,3,3,3-hexadeuteriopropan-2-ol have? |
| A: English synonyms of 1,1,1,3,3,3-hexadeuteriopropan-2-ol: 1,1,1,3,3,3-hexadeuterio-2-propanol, 2-Propanol-1,1,1,3,3,3-d6, 2-(1,1,1,3,3,3-H)Propanol, Isopropanol-1,1,1,3,3,3-d6, (1,1,1,3,3,3-H)Propan-2-ol, 2-propan-1,1,1,3,3,3-d6-ol, Isopropyl-1,1,1,3,3,3-d6 alcohol, Isopropanol-1,1,1,3,3,3-d6,Isopropyl-1,1,1,3,3,3-d6 alcohol, 2-Propan-1,1,1,3,3,3-d-ol. |
| Q: What is the boiling point of 1,1,1,3,3,3-hexadeuteriopropan-2-ol? |
| A: Boiling point of 1,1,1,3,3,3-hexadeuteriopropan-2-ol is 73.0±3.0 °C at 760 mmHg. |
| Q: What is the polar surface area (PSA) of 1,1,1,3,3,3-hexadeuteriopropan-2-ol? |
| A: Polar surface area (PSA) of 1,1,1,3,3,3-hexadeuteriopropan-2-ol is 20.23000. |
| Q: What is the safety information for 1,1,1,3,3,3-hexadeuteriopropan-2-ol? |
| A: Safety information for 1,1,1,3,3,3-hexadeuteriopropan-2-ol: 7-16. |
| Q: What is the LogP of 1,1,1,3,3,3-hexadeuteriopropan-2-ol? |
| A: LogP of 1,1,1,3,3,3-hexadeuteriopropan-2-ol is 0.16. |
| Q: What is the molecular weight of 1,1,1,3,3,3-hexadeuteriopropan-2-ol? |
| A: Molecular weight of 1,1,1,3,3,3-hexadeuteriopropan-2-ol is 66.132. |
| Q: What is the melting point of 1,1,1,3,3,3-hexadeuteriopropan-2-ol? |
| A: Melting point of 1,1,1,3,3,3-hexadeuteriopropan-2-ol is -90ºC(lit.). |
| Q: What is the InChIKey of 1,1,1,3,3,3-hexadeuteriopropan-2-ol? |
| A: InChIKey of 1,1,1,3,3,3-hexadeuteriopropan-2-ol is KFZMGEQAYNKOFK-WFGJKAKNSA-N. |
| Q: What are the storage conditions for 1,1,1,3,3,3-hexadeuteriopropan-2-ol? |
| A: Storage conditions for 1,1,1,3,3,3-hexadeuteriopropan-2-ol: 2-8°C. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |