1-Hexyl alcohol
n-Hexanol
CAS: 111-27-3
Molecular Formula: C6H14O
1-Hexyl alcohol - Names and Identifiers
| Name | n-Hexanol |
| Synonyms | epal6 Epal 6 1-hexanol n-Hexanol Hexan-1-ol Alcohol C-6 Amyl carbinol Hexyl Alcohol 1-Hexylalcohol caproylalcohol n-Hexyl Alcohol Caproyl alcohol Caproic alcohol Capronicalcohol 1-Hexyl alcohol alcooln-hexylique Natural Hexyl Alcohol Hexyl Alcohol(Alcohol C-6) |
| CAS | 111-27-3 |
| EINECS | 203-852-3 |
| InChI | InChI=1/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3 |
1-Hexyl alcohol - Physico-chemical Properties
| Molecular Formula | C6H14O |
| Molar Mass | 102.17 |
| Density | 0.814 g/mL at 25 °C (lit.) |
| Melting Point | -52 °C (lit.) |
| Boling Point | 156-157 °C (lit.) |
| Flash Point | 140°F |
| JECFA Number | 91 |
| Water Solubility | 6 g/L (25 ºC) |
| Solubility | ethanol: soluble(lit.) |
| Vapor Presure | 1 mm Hg ( 25.6 °C) |
| Vapor Density | 4.5 (vs air) |
| Appearance | Liquid |
| Color | Clear colorless |
| Odor | Sweet; mild. |
| Merck | 14,4697 |
| BRN | 969167 |
| pKa | 15.38±0.10(Predicted) |
| Storage Condition | no restrictions. |
| Stability | Stable. Substances to be avoided include strong acids, strong oxidizing agents. Combustible. |
| Explosive Limit | 1.2-7.7%(V) |
| Refractive Index | n20/D 1.418(lit.) |
| Physical and Chemical Properties | Colorless liquid. Boiling point 157 ℃, the relative density of 0.819, and ethanol, propylene glycol, oil can be miscible with each other. There are light green tender branches and leaves of breath, micro-band wine, fruit and fat flavor. N-hexanol or a carboxylic acid ester thereof is present in trace amounts in citrus, berries, and the like. Tea and sesame leaf oil a variety of lavender oil, banana, apple, strawberry, violet leaf oil and other essential oils are also contained. |
| Use | For the production of surfactants, plasticizers, fatty alcohols, etc |
1-Hexyl alcohol - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | 22 - Harmful if swallowed |
| Safety Description | 24/25 - Avoid contact with skin and eyes. |
| UN IDs | UN 2282 3/PG 3 |
| WGK Germany | 1 |
| RTECS | MQ4025000 |
| TSCA | Yes |
| HS Code | 29051900 |
| Hazard Class | 3 |
| Packing Group | III |
| Toxicity | LD50 oral in rat: 720mg/kg |
1-Hexyl alcohol - Upstream Downstream Industry
| Downstream Products | gamma-nonanoic lactone |
1-Hexyl alcohol - Nature
Open Data Verified Data
with fruit aroma, a little green leaf breath. Soluble in water and a variety of organic solvents.
Last Update：2024-01-02 23:10:35
1-Hexyl alcohol - Preparation Method
Open Data Verified Data
obtained by acid reduction.
Last Update：2022-01-01 10:08:05
1-Hexyl alcohol - Use
Open Data Verified Data
is widely used in the preparation of flavors. Mainly used for the preparation of coconut and berry flavor. Usually, 0. 22~18mg/kg is used for food flavor. It is used as soap essence, detergent essence, perfume essence, cream essence, etc.
Last Update：2022-01-01 10:08:05
1-Hexyl alcohol - Safety
Open Data Verified Data
rat acute oral LD50 4.59-4. 87g/kg, rabbit percutaneous LD50 is 3. IML/kg and more than 5 g/kg. In the closed condition, the sample was applied to the skin of the rabbit for 1 day, and moderate irritation was observed. The Vaseline preparation with concentration of 1% was subjected to a two-day closed skin contact test on human body, and no irritation and sensitization were found.
Last Update：2022-01-01 10:08:06
1-Hexyl alcohol - Reference Information
| FEMA | 2567 | HEXYL ALCOHOL |
| relative polarity | 0.559 |
| olfactory Threshold | 0.006ppm |
| LogP | 1.8 |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | n-hexanol is used for flavor-based and formulation of essential oils (such as Geranium oil) as part of the head fragrance, and can also be used in trace amounts for Violet, osmanthus fragrans, Magnolia, ylang ylang type essence, to modify or increase the green and tender breath, can also be used in trace amounts of edible coconut formula, berries and all kinds of fruit flavor; Used as solvent and Analytical reagents, also used in the pharmaceutical industry for the preparation of preservatives and sleeping pills. The product is China's GB2760-86 provisions to allow the use of edible spices, mainly for the preparation of coconut and berry flavor; For the production of surfactants, plasticizers, fatty alcohols; Used as chromatographic analysis reagents, also used in organic synthesis, etc. GB 2760-96 provides for the permitted use of flavorants. Commonly used in the essence base and the preparation of essential oils (such as leaf oil) as part of the head fragrance, can also be used in trace amounts of violet, osmanthus, Magnolia, ylang-ylang type essence, to modify or increase the green and tender breath, can also be used in trace amounts of coconut formula, berries and all kinds of fruit flavor. gas chromatographic analysis standard. Lithium chloride was separated from potassium chloride and sodium chloride. Solvent. |
| content analysis | 700 of freshly distilled pyridine is placed in a 1000 brown vial with a glass stopper, 11 5g of phthalic anhydride was added and shaken strongly until completely dissolved. Take 25.0 of this solution, put it into an appropriate heat-resistant, pressure-resistant bottle, tightly wrapped and fixed outside the bottle. Accurately weigh about 1 g of the sample with a weighing pipette, put it into a pressure bottle, and cover it. It was wrapped and fixed in a canvas bag, heated in a water bath at 98-100 ° C. For 3H, and the liquid level in the water bath was higher than that in the bottle. After removal, it was cooled to room temperature, and the stopper was carefully opened so that the contents were not lost. Add 0.5 ml of 50.0 mol/L sodium hydroxide solution to the bottle (note: This 50.0ml of 0.5 mol/L sodium hydroxide solution is not included in the final calculation), add 5 drops of 1% phenolphthalein pyridine solution, then titrate to pink end point with 0.5 mol/L sodium hydroxide solution and keep it unchanged for 15 s. A blank test was also performed. Each ml of 0.5mol/L sodium hydroxide solution is equivalent to 51.09 mg of hexanol (C6 H14O). Or according to the GT-10-4 gas chromatography non-polar column method. |
| toxicity | GRAS(FEMA). LD50 720 mg/kg (rat, oral). |
| usage limit | FEMA(mg/kg): Soft drink 6.6; Cold drink 26; Candy 21; Baked goods 18; pudding 0.22~0.28. Moderate limits (FDA § 172.515,2000). |
| production method | is obtained by reduction of N-hexanoic acid. industrially, it is generally obtained by reduction of acetic acid. In laboratory preparation, butyl magnesium bromide can be obtained by the reaction of butyl bromide with magnesium chip, and then reacted with ethylene oxide to obtain ethanol. |
| category | flammable liquid |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50:720 mg/kg; Oral-mouse LD50:1950 mg/kg |
| stimulation data | Skin-rabbits 10 mg/24 h mild; eye-rabbit 250 μg severe |
| flammability hazard characteristics | flammable in open flame, high temperature, strong oxidant; combustion emissions |
| storage and transportation characteristics | The package is complete, light and light unloading; The warehouse is ventilated, away from open flame, high temperature, separate from oxidant |
| fire extinguishing agent | foam, dry powder, carbon dioxide, sand |
| spontaneous combustion temperature | 559 ° F. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 20:52:54
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Downstream Products for 1-Hexyl alcohol