1-Hexanol
- CAS No.
- 111-27-3
- Chemical Name:
- 1-Hexanol
- Synonyms
- HEXANOL;N-HEXANOL;HEXYL ALCOHOL;HEXAN-1-OL;1-Hexenol;ALCOHOL C6;1-Hexyl alcohol;N-HEXYL ALCOHOL;FEMA 2567;AMYLCARBINOL
- CBNumber:
- CB8461421
- Molecular Formula:
- C6H14O
- Molecular Weight:
- 102.17
- MOL File:
- 111-27-3.mol
- MSDS File:
- SDS
- Modify Date:
- 2024/8/21 22:41:43
| Melting point | -52 °C (lit.) |
|---|---|
| Boiling point | 156-157 °C (lit.) |
| Density | 0.814 g/mL at 25 °C (lit.) |
| vapor density | 4.5 (vs air) |
| vapor pressure | 1 mm Hg ( 25.6 °C) |
| refractive index |
n |
| FEMA | 2567 | HEXYL ALCOHOL |
| Flash point | 140 °F |
| storage temp. | no restrictions. |
| solubility | ethanol: soluble(lit.) |
| pka | 15.38±0.10(Predicted) |
| form | Liquid |
| color | Clear colorless |
| Relative polarity | 0.559 |
| Odor | Sweet; mild. |
| Odor Threshold | 0.006ppm |
| Odor Type | herbal |
| explosive limit | 1.2-7.7%(V) |
| Water Solubility | 6 g/L (25 ºC) |
| JECFA Number | 91 |
| Merck | 14,4697 |
| BRN | 969167 |
| Dielectric constant | 13.3（24℃） |
| Stability | Stable. Substances to be avoided include strong acids, strong oxidizing agents. Combustible. |
| LogP | 1.8 |
| CAS DataBase Reference | 111-27-3(CAS DataBase Reference) |
| NIST Chemistry Reference | 1-Hexanol(111-27-3) |
| EPA Substance Registry System | 1-Hexanol (111-27-3) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |   GHS02,GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H226-H302+H312-H319 | |||||||||
| Precautionary statements | P210-P233-P280-P301+P312-P303+P361+P353-P305+P351+P338 | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 22 | |||||||||
| Safety Statements | 24/25 | |||||||||
| RIDADR | UN 2282 3/PG 3 | |||||||||
| WGK Germany | 1 | |||||||||
| RTECS | MQ4025000 | |||||||||
| Autoignition Temperature | 559 °F | |||||||||
| TSCA | Yes | |||||||||
| HazardClass | 3 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 29051900 | |||||||||
| Toxicity | LD50 oral in rat: 720mg/kg | |||||||||
| NFPA 704 |
|
1-Hexanol price More Price(35)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich(India) | W256714 | Hexyl alcohol natural, ≥98%, FCC, FG | 111-27-3 | 1SAMPLE-K | ₹5347.55 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | W256714 | Hexyl alcohol natural, ≥98%, FCC, FG | 111-27-3 | 100G | ₹14689.53 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | W256714 | Hexyl alcohol natural, ≥98%, FCC, FG | 111-27-3 | 1KG | ₹36068.9 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | W256714 | Hexyl alcohol natural, ≥98%, FCC, FG | 111-27-3 | 4KG | ₹107351.53 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | W256706 | Hexyl alcohol FCC, FG | 111-27-3 | 1SAMPLE-K | ₹4990.33 | 2022-06-14 | Buy |
1-Hexanol Chemical Properties,Uses,Production
Description
Hexyl alcohol has a fruity odor and aromatic flavor. May be synthesized by reduction of n-caproic acid; the n-hexyl alcohol represents one of the 14 possible isomers of this alcohol.
Chemical Properties
1-Hexanol is a liquid at room temperature.The absolute perceived concentration has been reported as 0.01 ppm, and the recognition level is 0.09 ppm .
Occurrence
Reported found among the constituents of several essential oils and aromas: apple, strawberry, tea, violet (leaves and flowers), Java citronella, Bourbon geranium, lavender, lavandin, spike, Litsea zeylanica; also identified in bitter orange. Also reported found in over 300 natural sources including apples, banana, sweet and sour cherry, citrus peel oils and juice, kumquat peel oil, berries, guava, grapes, raisin, melon, papaya, peach, pear, pineapple, asparagus, kohlrabi, cabbage, celery, cucumber, lettuce, leek, garlic, raw and cooked potato, sauerkraut, tomato, bell pepper, ginger, mint oils, mustard, breads, cheeses, butter, milk, fatty fish, meats, cognac, whiskies, rum, cider, grape wines, coffee, tea, cocoa, peanut oil, pecans, soybeans, nuts, coconut meat and milk, avocado, olive, passion fruit, plum, beans, mushrooms, starfruit, mango, fenugreek, sesame seed oil, figs, kelp, cardamom, coriander, gin, rice, fruit brandies, prickly pear, licorice, lovage corn oil, endive, truffles and other sources
Uses
1-Hexanol was examined as a perturbing agent on actomyosin ATPase and and was found to modulate the function of actomyosin motor via intermediate-specific structural perturbation.
Preparation
By reduction of n-caproic acid; the n-hexyl alcohol represents 1 of the 14 possible isomers of this alcohol
Production Methods
1-Hexanol is commercially prepared from the addition of ethylene to triethylaluminum followed by oxidation. It is also produced from natural products derived from coconut or palm oils.
Definition
ChEBI: A primary alcohol that is hexane substituted by a hydroxy group at position 1.
General Description
1-Hexanol is an organic alcohol, which has application in the synthesis of antiseptics, fragrances, perfumes, etc. It is also used as a component of plasticizers.
Hazard
Combustible.
Health Hazard
Recommended Personal Protective Equipment: Chemical gloves; chemical goggles; Symptoms Following Exposure: Liquid causes eye burns and skin irritation. Breathing vapors is not expected to cause systemic illness; General Treatment for Exposure: In case of contact, immediately flush skin and eyes with plenty of water. Wash eyes at least 15 min. and get medical care; Toxicity by Inhalation (Threshold Limit Value): Data not available; Short-Term Inhalation Limits: Data not available; Toxicity by Ingestion: Grade 2, LD50 = 0.5 to 5 g/kg (rat); Late Toxicity: Data not available; Vapor (Gas) Irritant Characteristics: Data not available; Liquid or Solid Irritant Characteristics: Causes smarting of the skin and first-degree burns on short exposure; may cause second-degree burns on long exposure; Odor Threshold: Data not available.
Chemical Reactivity
Reactivity with Water No reaction; Reactivity with Common Materials: No reactions; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent.
Carcinogenicity
1-Hexanol was not a skin tumor promoter when applied three times a week for 60 weeks to mice skin that had been initiated with dimethylbenz[a] anthracene.
Purification Methods
The commercial material usually contains other alcohols which are difficult to remove. A suitable method is to esterify with hydroxybenzoic acid, recrystallise the ester and saponify. [Olivier Recl Trav Chim, Pays-Bas 55 1027 1936.] Drying agents include K2CO3 and CaSO4, followed by filtration and distillation. (Some decomposition to the olefin occurs when Al amalgam is used as drying agent at room temperature, even if the amalgam is removed prior to distillation.) If the alcohol is required anhydrous, the redistilled material can be refluxed with the appropriate alkyl phthalate or succinate, as described under Ethanol. [Beilstein 1 IV 1694.]
1-Hexanol Preparation Products And Raw materials
Raw materials
Preparation Products
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chevron_right| Supplier | Tel | Country | ProdList | Advantage | Inquiry |
|---|---|---|---|---|---|
| Nagar Haveli Perfumes & Aromatics | +917506551149 | Mumbai, India | 230 | 58 | Inquiry |
| PERFECT CHEMICAL | +91-9820465461 +91-9820465461 | Mumbai, India | 391 | 58 | Inquiry |
| Choice Chemicals | +91-9895031268 +91-9895031268 | Kerela, India | 118 | 58 | Inquiry |
| JSK Chemicals | +919879767970 | Gujarat, India | 3756 | 58 | Inquiry |
| S D Fine Chem Limited | +91-9323715856 +91-9323715856 | Maharashtra, India | 368 | 58 | Inquiry |
| Dr Prem's Molecules Pvt. Ltd. | +91 9825310038 | New Delhi, India | 547 | 50 | Inquiry |
| Maas Pharma Chemicals | +91-9958666224 | Delhi, India | 1607 | 58 | Inquiry |
| A.J Chemicals | 91-9810153283 | New Delhi, India | 6124 | 58 | Inquiry |
| Otto Chemie Pvt. Ltd. | +91 9820041841 | Mumbai, India | 5873 | 58 | Inquiry |
| Sisco Research Laboratories Pvt. Ltd. | +91-22-4268 5800 | Mumbai, India | 4317 | 58 | Inquiry |
| Supplier | Advantage |
|---|---|
| Nagar Haveli Perfumes & Aromatics | 58 |
| PERFECT CHEMICAL | 58 |
| Choice Chemicals | 58 |
| JSK Chemicals | 58 |
| S D Fine Chem Limited | 58 |
| Dr Prem's Molecules Pvt. Ltd. | 50 |
| Maas Pharma Chemicals | 58 |
| A.J Chemicals | 58 |
| Otto Chemie Pvt. Ltd. | 58 |
| Sisco Research Laboratories Pvt. Ltd. | 58 |
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- May 22，2024