4-Methyl-1-pentanol
4-Methyl-1-pentanol structure
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Common Name | 4-Methyl-1-pentanol | ||
|---|---|---|---|---|
| CAS Number | 626-89-1 | Molecular Weight | 102.17500 | |
| Density | 0.821 g/mL at 25 °C(lit.) | Boiling Point | 160-165 °C(lit.) | |
| Molecular Formula | C6H14O | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 125 °F | |
| Symbol |
GHS02 |
Signal Word | Warning | |
Use of 4-Methyl-1-pentanol4-Methyl-1-pentanol (Isohexanol) is a volatile aroma compound of red wine from cv. Kalecik Karasι[1]. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-Methyl-1-pentanol |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | 4-Methyl-1-pentanol (Isohexanol) is a volatile aroma compound of red wine from cv. Kalecik Karasι[1]. |
|---|---|
| Related Catalog | |
| References |
[1]. Selli S, et, al. Volatile composition of red wine from cv. Kalecik Karasι grown in central Anatolia |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 0.821 g/mL at 25 °C(lit.) |
|---|---|
| Boiling Point | 160-165 °C(lit.) |
| Molecular Formula | C6H14O |
| Molecular Weight | 102.17500 |
| Flash Point | 125 °F |
| Exact Mass | 102.10400 |
| PSA | 20.23000 |
| LogP | 1.41490 |
| Index of Refraction | n20/D 1.414(lit.) |
| InChIKey | PCWGTDULNUVNBN-UHFFFAOYSA-N |
| SMILES | CC(C)CCCO |
| Storage condition | Flammables area |
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 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H226 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xi: Irritant; |
| Risk Phrases | R10;R37 |
| Safety Phrases | S24/25-S16 |
| RIDADR | UN 1987 3/PG 3 |
| WGK Germany | 3 |
| RTECS | NR3020000 |
| Packaging Group | III |
| Hazard Class | 3.2 |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Influence of Pre-Fermentation Treatments on Wine Volatile and Sensory Profile of the New Disease Tolerant Cultivar Solaris.
Molecules 20 , 21609-25, (2015) Solaris is a new disease tolerant cultivar increasingly cultivated in cool climate regions. In order to explore the winemaking processes' potential to make different styles of Solaris wines, the effec... |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-methylpentan-1-ol |
| AnglaMol 6085U |
| EINECS 210-969-3 |
| 4-METHYLPENTANOL-1 |
| 4-methylpentyl alcohol |
| 2-Methyl-5-pentanol |
| 4-Methylpcntanol |
| ISOHEXANOL |
| 4-methyl-1-pentano |
| 4-methylpentanol |
| iso-hexyl alcohol |
| MFCD00002962 |
| ISOAMYL CARBINOL |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the safety information for 4-Methyl-1-pentanol? |
| A: Safety information for 4-Methyl-1-pentanol: S24/25-S16. |
| Q: What is the InChIKey of 4-Methyl-1-pentanol? |
| A: InChIKey of 4-Methyl-1-pentanol is PCWGTDULNUVNBN-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of 4-Methyl-1-pentanol? |
| A: Polar surface area (PSA) of 4-Methyl-1-pentanol is 20.23000. |
| Q: What is the English name of 4-Methyl-1-pentanol? |
| A: The English name of 4-Methyl-1-pentanol is 4-Methyl-1-pentanol. |
| Q: What are the uses of 4-Methyl-1-pentanol? |
| A: Main uses of 4-Methyl-1-pentanol: 4-Methyl-1-pentanol (Isohexanol) is a volatile aroma compound of red wine from cv. Kalecik Karasι[1]. |
| Q: What is the CAS number of 4-Methyl-1-pentanol? |
| A: CAS number of 4-Methyl-1-pentanol is 626-89-1. |
| Q: What is the SMILES notation of 4-Methyl-1-pentanol? |
| A: SMILES notation of 4-Methyl-1-pentanol is CC(C)CCCO. |
| Q: What is the molecular formula of 4-Methyl-1-pentanol? |
| A: Molecular formula of 4-Methyl-1-pentanol is C6H14O. |
| Q: What English synonyms does 4-Methyl-1-pentanol have? |
| A: English synonyms of 4-Methyl-1-pentanol: 4-methylpentan-1-ol, AnglaMol 6085U, EINECS 210-969-3, 4-METHYLPENTANOL-1, 4-methylpentyl alcohol, 2-Methyl-5-pentanol, 4-Methylpcntanol, ISOHEXANOL, 4-methyl-1-pentano, 4-methylpentanol, iso-hexyl alcohol, MFCD00002962, ISOAMYL CARBINOL. |
| Q: What is the boiling point of 4-Methyl-1-pentanol? |
| A: Boiling point of 4-Methyl-1-pentanol is 160-165 °C(lit.). |
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. |