Prenderol
Prenderol structure
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Common Name | Prenderol | ||
|---|---|---|---|---|
| CAS Number | 115-76-4 | Molecular Weight | 132.20100 | |
| Density | 0.95g/mLat 25°C (lit.) | Boiling Point | 160 °C (50 mmHg) | |
| Molecular Formula | C7H16O2 | Melting Point | 59-61 °C(lit.) | |
| MSDS | USA | Flash Point | 102 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Use of PrenderolPrenderol is a potent central-nervous-system depressant. Prenderol has anticonvulsant activity[1]. |
Summary: 2,2-Diethyl-1,3-propanediol (CAS: 115-76-4) is a white to pale yellow crystalline powder. Its molecular formula is C7H16O2 and molecular weight is 132.20100. 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 | 2,2-Diethyl-1,3-propanediol |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Prenderol is a potent central-nervous-system depressant. Prenderol has anticonvulsant 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 | 0.95g/mLat 25°C (lit.) |
|---|---|
| Boiling Point | 160 °C (50 mmHg) |
| Melting Point | 59-61 °C(lit.) |
| Molecular Formula | C7H16O2 |
| Molecular Weight | 132.20100 |
| Flash Point | 102 °C |
| Exact Mass | 132.11500 |
| PSA | 40.46000 |
| LogP | 0.77740 |
| Vapour Pressure | 0.00657mmHg at 25°C |
| Index of Refraction | 1.451 |
| InChIKey | XRVCFZPJAHWYTB-UHFFFAOYSA-N |
| SMILES | CCC(CC)(CO)CO |
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.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H302-H319 |
| Precautionary Statements | P301 + P312 + P330-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xn:Harmful; |
| Risk Phrases | R22;R36 |
| Safety Phrases | S26 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 2 |
| RTECS | TY5250000 |
| HS Code | 2905399090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~74%
Prenderol CAS#:115-76-4 |
| Literature: Bulletin of the Chemical Society of Japan, , vol. 77, # 6 p. 1173 - 1180 |
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~%
Prenderol CAS#:115-76-4 |
| Literature: Journal of the American Chemical Society, , vol. 70, p. 1982 |
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~%
Prenderol CAS#:115-76-4 |
| Literature: Journal of Organic Chemistry, , vol. 33, # 1 p. 206 - 212 |
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~%
Prenderol CAS#:115-76-4 |
| Literature: Journal of the American Chemical Society, , vol. 70, p. 1982 Journal of the American Chemical Society, , vol. 70, p. 948 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 10 | |
![1,5-Dioxaspiro[5.5]undecane,3,3-diethyl structure](https://image.chemsrc.com/caspic/324/24571-12-8.png)
CAS#:24571-12-8![6,10-Dioxaspiro[4.5]decane,8,8-diethyl structure](https://image.chemsrc.com/caspic/238/24571-14-0.png)
CAS#:24571-14-0![3,3-diethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine structure](https://image.chemsrc.com/caspic/103/259139-19-0.png)
CAS#:259139-19-0![[2-(diethylcarbamoyloxymethyl)-2-ethylbutyl] N,N-diethylcarbamate structure](https://image.chemsrc.com/caspic/406/25648-90-2.png)
CAS#:25648-90-2
CAS#:67-56-1
CAS#:97-95-0
CAS#:760-21-4
CAS#:67969-84-0
CAS#:1003-19-6This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2905399090 |
|---|---|
| Summary | 2905399090 other diols。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:5.5%。general tariff:30.0% |
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.
| 2,2-DIETHYL-1,3-PROPANEDIOL |
| 2,2-diethylpropane-1,3-diol |
| 2,2-Dihydroxy-2,2-diethylpropane |
| 3,3-Bis(hydroxymethyl)pentane |
| EINECS 204-103-3 |
| 2,2-Diethyl-2,2-dihydroxypropane |
| MFCD00004695 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does 2,2-Diethyl-1,3-propanediol have? |
| A: English synonyms of 2,2-Diethyl-1,3-propanediol: 2,2-DIETHYL-1,3-PROPANEDIOL, 2,2-diethylpropane-1,3-diol, 2,2-Dihydroxy-2,2-diethylpropane, 3,3-Bis(hydroxymethyl)pentane, EINECS 204-103-3, 2,2-Diethyl-2,2-dihydroxypropane, MFCD00004695. |
| Q: What are the uses of 2,2-Diethyl-1,3-propanediol? |
| A: Main uses of 2,2-Diethyl-1,3-propanediol: Prenderol is a potent central-nervous-system depressant. Prenderol has anticonvulsant activity[1]. |
| Q: What are the downstream products of 2,2-Diethyl-1,3-propanediol? |
| A: Related downstream products(CAS) of 2,2-Diethyl-1,3-propanediol: 24571-12-8;24571-14-0;259139-19-0;25648-90-2;67-56-1;97-96-1;97-95-0;760-21-4;67969-84-0;1003-19-6. |
| Q: What are the upstream materials of 2,2-Diethyl-1,3-propanediol? |
| A: Related upstream materials(CAS) of 2,2-Diethyl-1,3-propanediol: 77-25-8;50-00-0;57-44-3;97-96-1. |
| Q: What is the melting point of 2,2-Diethyl-1,3-propanediol? |
| A: Melting point of 2,2-Diethyl-1,3-propanediol is 59-61 °C(lit.). |
| Q: What is the safety information for 2,2-Diethyl-1,3-propanediol? |
| A: Safety information for 2,2-Diethyl-1,3-propanediol: S26. |
| Q: What is the polar surface area (PSA) of 2,2-Diethyl-1,3-propanediol? |
| A: Polar surface area (PSA) of 2,2-Diethyl-1,3-propanediol is 40.46000. |
| Q: What is the molecular formula of 2,2-Diethyl-1,3-propanediol? |
| A: Molecular formula of 2,2-Diethyl-1,3-propanediol is C7H16O2. |
| Q: What is the molecular weight of 2,2-Diethyl-1,3-propanediol? |
| A: Molecular weight of 2,2-Diethyl-1,3-propanediol is 132.20100. |
| Q: What is the English name of 2,2-Diethyl-1,3-propanediol? |
| A: The English name of 2,2-Diethyl-1,3-propanediol is 2,2-Diethyl-1,3-propanediol. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Henan Tianfu Chemical Co., Ltd. |