Neopentyl alcohol
Neopentyl alcohol structure
|
Common Name | Neopentyl alcohol | ||
|---|---|---|---|---|
| CAS Number | 75-84-3 | Molecular Weight | 88.148 | |
| Density | 0.8±0.1 g/cm3 | Boiling Point | 113.1±0.0 °C at 760 mmHg | |
| Molecular Formula | C5H12O | Melting Point | 52-56 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 36.7±0.0 °C | |
| Symbol |
GHS02, GHS07 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Neopentyl Alcohol |
|---|---|
| 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 | 113.1±0.0 °C at 760 mmHg |
| Melting Point | 52-56 °C(lit.) |
| Molecular Formula | C5H12O |
| Molecular Weight | 88.148 |
| Flash Point | 36.7±0.0 °C |
| Exact Mass | 88.088814 |
| PSA | 20.23000 |
| LogP | 1.04 |
| Vapour Pressure | 10.8±0.4 mmHg at 25°C |
| Index of Refraction | 1.407 |
| InChIKey | KPSSIOMAKSHJJG-UHFFFAOYSA-N |
| SMILES | CC(C)(C)CO |
| Storage condition | Flammables area |
| Water Solubility | 3.5 G/100 ML AT 25 ºC |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS02, GHS07 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H228-H319-H335 |
| Precautionary Statements | P210-P305 + P351 + P338-P370 + P378 |
| Personal Protective Equipment | Eyeshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges |
| Hazard Codes | F:Flammable; |
| Risk Phrases | R11 |
| Safety Phrases | S16-S26-S36/37 |
| RIDADR | UN 1325 4.1/PG 2 |
| WGK Germany | 1 |
| Packaging Group | III |
| Hazard Class | 4.1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 10 | |
CAS#:3282-30-2
CAS#:68-26-8
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CAS#:18295-25-5This table lists relevant public references with title, journal and publication metadata for this compound.
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Convenient QSAR model for predicting the complexation of structurally diverse compounds with β-cyclodextrins
Bioorg. Med. Chem. 17 , 896-904, (2009) This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoret... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Octanol-water partition coefficient, log P of the compound
Source: ChEMBL
Target: N/A
External Id: CHEMBL3280729
|
|
Name: Toxicity in Tetrahymena pyriformis
Source: ChEMBL
Target: Tetrahymena pyriformis
External Id: CHEMBL3057542
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2,2-dimethylpropan-1-ol |
| tert-Butylcarbinol |
| MFCD00004682 |
| Neoamyl alcohol |
| neopentanol |
| 2,2-Dimethylpropyl alcohol |
| EINECS 200-907-3 |
| 2,2-Dimethyl-1-propanol |
| Neopentyl alcohol |
| Neopentylalcohol |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of Neopentyl Alcohol? |
| A: InChIKey of Neopentyl Alcohol is KPSSIOMAKSHJJG-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of Neopentyl Alcohol? |
| A: Polar surface area (PSA) of Neopentyl Alcohol is 20.23000. |
| Q: How is the water solubility of Neopentyl Alcohol? |
| A: Water solubility of Neopentyl Alcohol: 3.5 G/100 ML AT 25 ºC. |
| Q: What are the upstream materials of Neopentyl Alcohol? |
| A: Related upstream materials(CAS) of Neopentyl Alcohol: 3282-30-2;68-26-8;630-19-3;3938-95-2;50-00-0;507-20-0;75-98-9;121335-11-3;754-10-9;598-98-1. |
| Q: What are the storage conditions for Neopentyl Alcohol? |
| A: Storage conditions for Neopentyl Alcohol: Flammables area. |
| Q: What is the LogP of Neopentyl Alcohol? |
| A: LogP of Neopentyl Alcohol is 1.04. |
| Q: What is the SMILES notation of Neopentyl Alcohol? |
| A: SMILES notation of Neopentyl Alcohol is CC(C)(C)CO. |
| Q: What is the molecular weight of Neopentyl Alcohol? |
| A: Molecular weight of Neopentyl Alcohol is 88.148. |
| Q: What is the English name of Neopentyl Alcohol? |
| A: The English name of Neopentyl Alcohol is Neopentyl Alcohol. |
| Q: What is the CAS number of Neopentyl Alcohol? |
| A: CAS number of Neopentyl Alcohol is 75-84-3. |
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. |
| Zhongshan Xingrui Chemical Co. , Ltd. |
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- Shanghai Nianxing Industrial Co., Ltd
- China
- Product Name: Neopentyl alcohol
- Price: Check
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- Dayang Chem (Hangzhou) Co., Ltd.
- China
- Product Name: 2,2-Dimethylpropanol
- Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
- Purity: 98.0%
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- Henan Tianfu Chemical Co., Ltd.
- China
- Product Name: 75-84-3 NEOPENTYL ALCOHOL C5H12O
- Price: $Inquiry/1kg $Inquiry/25kg $Inquiry/1000kg $Inquiry/10ton
- Purity: 99.0%
- Delivery: Inquiry
- Contact: Anson
- Email: info@tianfuchem.com
- Zhongshan Xingrui Chemical Co. , Ltd.
- China
- Product Name: Neopentyl alcohol
- Price: ￥Inquiry/25kg
- Purity: 99.0%
- Delivery: Inquiry
- Contact: Wang Jie
- Email: 3096638339@qq.com
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