3-Methyl-3-pentanol
3-Methyl-3-pentanol structure
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Common Name | 3-Methyl-3-pentanol | ||
|---|---|---|---|---|
| CAS Number | 77-74-7 | Molecular Weight | 102.175 | |
| Density | 0.8±0.1 g/cm3 | Boiling Point | 122.4±0.0 °C at 760 mmHg | |
| Molecular Formula | C6H14O | Melting Point | -24ºC | |
| MSDS | Chinese USA | Flash Point | 46.1±0.0 °C | |
| Symbol |
GHS02, GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-Methyl-3-pentanol |
|---|---|
| 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 | 122.4±0.0 °C at 760 mmHg |
| Melting Point | -24ºC |
| Molecular Formula | C6H14O |
| Molecular Weight | 102.175 |
| Flash Point | 46.1±0.0 °C |
| Exact Mass | 102.104462 |
| PSA | 20.23000 |
| LogP | 1.57 |
| Vapour Pressure | 6.7±0.4 mmHg at 25°C |
| Index of Refraction | 1.415 |
| InChIKey | FRDAATYAJDYRNW-UHFFFAOYSA-N |
| SMILES | CCC(C)(O)CC |
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 |
GHS02, GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H226-H302 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xn |
| Risk Phrases | R10 |
| Safety Phrases | 24/25 |
| RIDADR | UN 2560 |
| WGK Germany | 3 |
| RTECS | SA7450000 |
| Packaging Group | III |
| Hazard Class | 3.2 |
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 9 | |
|---|---|
| DownStream 10 | |
CAS#:77-92-9
CAS#:77-75-8
CAS#:96-14-0
CAS#:918-86-5
CAS#:88750-58-7
CAS#:918-85-4
CAS#:5798-80-1
CAS#:925-90-6
CAS#:64-19-7
CAS#:1447-39-8
CAS#:464-72-2
CAS#:19889-37-3
CAS#:1185-39-3
CAS#:760-21-4
CAS#:922-61-2
CAS#:625-27-4
CAS#:3404-63-5
CAS#:30784-25-9
CAS#:1639-03-8This 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 collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| EINECS 201-053-4 |
| MFCD00004483 |
| 3-methylpentan-3-ol |
| 3-Methyl-3-pentanol |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of 3-Methyl-3-pentanol? |
| A: Molecular formula of 3-Methyl-3-pentanol is C6H14O. |
| Q: What are the upstream materials of 3-Methyl-3-pentanol? |
| A: Related upstream materials(CAS) of 3-Methyl-3-pentanol: 77-92-9;77-75-8;96-14-0;918-86-5;88750-58-7;918-85-4;5798-80-1;925-90-6;64-19-7. |
| Q: What is the CAS number of 3-Methyl-3-pentanol? |
| A: CAS number of 3-Methyl-3-pentanol is 77-74-7. |
| Q: What is the molecular weight of 3-Methyl-3-pentanol? |
| A: Molecular weight of 3-Methyl-3-pentanol is 102.175. |
| Q: What is the English name of 3-Methyl-3-pentanol? |
| A: The English name of 3-Methyl-3-pentanol is 3-Methyl-3-pentanol. |
| Q: What is the polar surface area (PSA) of 3-Methyl-3-pentanol? |
| A: Polar surface area (PSA) of 3-Methyl-3-pentanol is 20.23000. |
| Q: What English synonyms does 3-Methyl-3-pentanol have? |
| A: English synonyms of 3-Methyl-3-pentanol: EINECS 201-053-4, MFCD00004483, 3-methylpentan-3-ol, 3-Methyl-3-pentanol. |
| Q: What is the melting point of 3-Methyl-3-pentanol? |
| A: Melting point of 3-Methyl-3-pentanol is -24ºC. |
| Q: What is the LogP of 3-Methyl-3-pentanol? |
| A: LogP of 3-Methyl-3-pentanol is 1.57. |
| Q: What are the downstream products of 3-Methyl-3-pentanol? |
| A: Related downstream products(CAS) of 3-Methyl-3-pentanol: 1447-39-8;464-72-2;19889-37-3;1185-39-3;760-21-4;922-61-2;625-27-4;3404-63-5;30784-25-9;1639-03-8. |
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. |