UNII:JR71SUM5E9
UNII:JR71SUM5E9 structure
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Common Name | UNII:JR71SUM5E9 | ||
|---|---|---|---|---|
| CAS Number | 100-72-1 | Molecular Weight | 116.158 | |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 183.9±8.0 °C at 760 mmHg | |
| Molecular Formula | C6H12O2 | Melting Point | 187°C | |
| MSDS | N/A | Flash Point | 93.3±0.0 °C | |
Use of UNII:JR71SUM5E92-Hydroxymethyltetrahydropyran is a volatile compound in Sambucus williamsii (SW) seed oil. SW seed oil has potential antioxidant activity[1]. |
Summary: Tetrahydropyran-2-methanol, Chinese name: 四氢吡喃-2-甲醇, CAS number: 100-72-1, molecular formula: C6H12O2, molecular weight: 116.158. Appearance: Transparent colorless to very faint yellow liquid, melting point: 187°C, boiling point: 183.9±8.0 °C, density: 1.0±0.1 g/cm3. 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 | tetrahydropyran-2-methanol |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | 2-Hydroxymethyltetrahydropyran is a volatile compound in Sambucus williamsii (SW) seed oil. SW seed oil has potential antioxidant activity[1]. |
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| Related Catalog | |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 183.9±8.0 °C at 760 mmHg |
| Melting Point | 187°C |
| Molecular Formula | C6H12O2 |
| Molecular Weight | 116.158 |
| Flash Point | 93.3±0.0 °C |
| Exact Mass | 116.083733 |
| PSA | 29.46000 |
| LogP | 0.18 |
| Vapour density | 4.02 (vs air) |
| Vapour Pressure | 0.2±0.8 mmHg at 25°C |
| Index of Refraction | 1.445 |
| InChIKey | ROTONRWJLXYJBD-UHFFFAOYSA-N |
| SMILES | OCC1CCCCO1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi:Irritant; |
|---|---|
| Risk Phrases | R36/38 |
| Safety Phrases | S26-S36-S24/25 |
| WGK Germany | 2 |
| RTECS | UQ0175000 |
| HS Code | 2932999099 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2932999099 |
|---|---|
| Summary | 2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| oxan-2-ylmethanol |
| Tetrahydro-2-hydroxymethyl-2H-pyran |
| EINECS 202-882-4 |
| Tetrahydro-2H-pyran-2-ylmethanol |
| 2-Hydroxymethyltetrahydropyran |
| (Tetrahydro-2H-pyran-2-yl)methanol |
| MFCD00006624 |
| UNII:JR71SUM5E9 |
| Tetrahydropyran-2-methanol |
| 2-(Hydroxymethyl)tetrahydropyran |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the melting point of tetrahydropyran-2-methanol? |
| A: Melting point of tetrahydropyran-2-methanol is 187°C. |
| Q: What is the CAS number of tetrahydropyran-2-methanol? |
| A: CAS number of tetrahydropyran-2-methanol is 100-72-1. |
| Q: What is the boiling point of tetrahydropyran-2-methanol? |
| A: Boiling point of tetrahydropyran-2-methanol is 183.9±8.0 °C at 760 mmHg. |
| Q: What is the English name of tetrahydropyran-2-methanol? |
| A: The English name of tetrahydropyran-2-methanol is tetrahydropyran-2-methanol. |
| Q: What are the uses of tetrahydropyran-2-methanol? |
| A: Main uses of tetrahydropyran-2-methanol: 2-Hydroxymethyltetrahydropyran is a volatile compound in Sambucus williamsii (SW) seed oil. SW seed oil has potential antioxidant activity[1]. |
| Q: What is the molecular formula of tetrahydropyran-2-methanol? |
| A: Molecular formula of tetrahydropyran-2-methanol is C6H12O2. |
| Q: What is the polar surface area (PSA) of tetrahydropyran-2-methanol? |
| A: Polar surface area (PSA) of tetrahydropyran-2-methanol is 29.46000. |
| Q: What is the SMILES notation of tetrahydropyran-2-methanol? |
| A: SMILES notation of tetrahydropyran-2-methanol is OCC1CCCCO1. |
| Q: What is the LogP of tetrahydropyran-2-methanol? |
| A: LogP of tetrahydropyran-2-methanol is 0.18. |
| Q: What is the safety information for tetrahydropyran-2-methanol? |
| A: Safety information for tetrahydropyran-2-methanol: S26-S36-S24/25. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |
| Henan Tianfu Chemical Co., Ltd. |