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1-Hexanol

General Description Uses Content Analysis maximum level Preparation Production methods Hazards & Safety Information
1-Hexanol
1-Hexanol structure
CAS No.
111-27-3
Chemical Name:
1-Hexanol
Synonyms
epal6;Epal 6;Exxal 6;HEXANOL;hexan-1-;n-C6H13OH;n-Hexenol;1-HEXANOL;FEMA 2567;N-HEXANOL
CBNumber:
CB8461421
Molecular Formula:
C6H14O
Formula Weight:
102.17
MOL File:
111-27-3.mol

1-Hexanol Properties

Melting point:
−52 °C(lit.)
Boiling point:
156-157 °C(lit.)
Density 
0.820 g/mL at 20 °C
vapor density 
4.5 (vs air)
vapor pressure 
1 mm Hg ( 25.6 °C)
refractive index 
n20/D 1.418(lit.)
FEMA 
2567 | HEXYL ALCOHOL
Flash point:
140 °F
storage temp. 
Storage temperature: no restrictions.
solubility 
ethanol: soluble(lit.)
form 
Liquid
color 
Clear colorless
Relative polarity
0.559
Odor
Sweet; mild.
explosive limit
1.2-7.7%(V)
Water Solubility 
6 g/L (25 ºC)
Merck 
14,4697
JECFA Number
91
BRN 
969167
Stability:
Stable. Substances to be avoided include strong acids, strong oxidizing agents. Combustible.
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  H302-H313-H226-H302+H312-H319
Precautionary statements  P280-P305+P351+P338-P210-P240-P241-P280a-P303+P361+P353-P501a
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

NFPA 704

Diamond Hazard Value Description
2
3 0
Health   3 Short exposure could cause serious temporary or moderate residual injury (e.g. liquid hydrogen, sulfuric acid, calcium hypochlorite, hexafluorosilicic acid)
Flammability   2 Must be moderately heated or exposed to relatively high ambient temperature before ignition can occur and multiple finely divided suspended solids that do not require heating before ignition can occur. Flash point between 37.8 and 93.3 °C (100 and 200 °F). (e.g. diesel fuel, sulfur)
Instability   0 Normally stable, even under fire exposure conditions, and is not reactive with water (e.g. helium,N2)
Special  

(NFPA, 2010)

1-Hexanol price More Price(24)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 471402 1-Hexanol anhydrous, ≥99% 111-27-3 1l $163 2018-11-13 Buy
Sigma-Aldrich 471402 1-Hexanol anhydrous, ≥99% 111-27-3 2l $234 2018-11-13 Buy
TCI Chemical H0130 1-Hexanol >98.0%(GC) 111-27-3 25mL $18 2018-11-22 Buy
TCI Chemical H0130 1-Hexanol >98.0%(GC) 111-27-3 500mL $21 2018-11-22 Buy
Alfa Aesar A18232 1-Hexanol, 99% 111-27-3 500ml $20.6 2018-11-15 Buy

1-Hexanol Chemical Properties,Uses,Production

General Description

Colorless liquid. The boiling point is 157 ° C; the relative density is 0.819. Miscible in ethanol, propylene glycol and oil. There are light blue shoots breath, wine, fruit and fat flavor.
Naturally occurs in some fruits such as apples, strawberries, bitter oranges, also found in camphor oil, tea leaves, tobacco leaves, eucalyptus and coffee. It appears as colorless transparent liquid with fruit-like aroma at low concentration. Sweet; rapidly oxidized in the air; can have polymerization reaction upon contact with concentrated inorganic acid. Similar to normal fatty aldehydes, it can be oxidized to caproic acid and reduced to hexanol.

Uses

  1. It often acts as part of the head incense used in fragrance base and formulated essential oil (such as geraniol oil).  A trace of hexanol is used for violet, sweet-scented osmanthus, magnolia, ylang-type flavor to modify or increase the tender atmosphere, as well as used for edible coconut formula, berries and various types of fruit flavor. It is used as solvents and analytical reagents, also used in the pharmaceutical industry for preservatives and sleeping pills. The goods are listed in China's GB 2760-96. It is mainly used to prepare coconut and berry flavor and used for the production of surfactants, plasticizers, fatty alcohols and so on. It is also used for chromatography reagents and organic synthesis.
  2. Gas chromatography analysis standards. Lithium chloride was isolated from potassium chloride and sodium chloride. Solvent.
  3. In the synthesis of spices and the preparation of caproic acid; also used as gas chromatography reagents for Wittig and Aldol reactions.

Content Analysis

Add 700 ml of newly distilled pyridine into a 1000 ml brown bottle with a glass stopper; add phthalic anhydride 11 5g with strong shaking to complete dissolution. Take the solution 25.0ml, adding into a bottle with heat pressure resistance. The bottle are tightly wrapped and fixed.Weigh the sample about 1 g with the weighing pipette; add it into the pressure bottle; stamped. The sample was fixed in a canvas bag, heated in a water bath at 98~100 ℃ for 3h, and let the water level in the water bath higher than the bottle level. After removal, cool it to room temperature; carefully open the stopper, and do not make a content loss. Add 0.5mol/L sodium hydroxide solution 50.0ml (Note: This 50.0ml 0.5mol/L sodium hydroxide solution is not included in the final calculation). Add 1% phenolphthalein 5 drops of pyridine solution, and then 0.5 mol/L sodium hydroxide solution to the pink end point and maintain 15 s unchanged. At the same time carry out a blank test. Per milliliter of sodium hydroxide solution 0.5mol/L is equivalent to alcohol (C6H14O) 51.09 mg. Or measured by non-polar column in GT-10-4 gas chromatography.

maximum level

FEMA (mg/kg): soft drinks 6.6; cold drinks 26; candy 21; baked food 18; puddings 0.22 to 0.28.
Moderation (FDA § 172.515, 2000).

Preparation

  1. Hexanol oxidation;
  2. Use calcium hexanoate and formic acid as the raw materials, heat and reflux them to obtain it.

Production methods

(1) It is generally derived from acetic acid reduction in industry. Bromine butane and magnesium shards reaction obtains butyl magnesium bromide, and the butyl magnesium bromide reacted with ethylene oxide to get ethanol under laboratorial study.
(2) Via n-hexylic acid reduction.

Hazards & Safety Information

Category: Flammable liquids
Toxic classification: Moderately hazardous
Acute toxicity
Oral-Rat LD50: 720 mg/kg; Oral-mouse LD50: 1950 mg/kg
Stimulation data: Skin-Rabbit 10 mg/24 h Mild; Eye-Rabbit 250 μg Severity.
Flammability characteristics: In case of fire, high temperature, strong oxidant flammable; combustion emissions to stimulate smoke
Storage and transport: Packaging integrity, light loading and unloading; Treasury ventilation, away from open flame, high temperature, stored separately from the oxidant.
Fire extinguishing agent: Foam, dry powder, carbon dioxide, sand.

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

Hexyl alcohol has an herbaceous, woody, fragrant, mild, sweet, green fruity odor and aromatic flavor.

Chemical Properties

Colourless liquid (odour recognition threshold 0.09ppm)

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.

Definition

ChEBI: A primary alcohol that is hexane substituted by a hydroxy group at position 1.

Preparation

By reduction of n-caproic acid; the n-hexyl alcohol represents 1 of the 14 possible isomers of this alcohol

Aroma threshold values

Detection: 200 ppb to 2.5 ppm

Taste threshold values

Taste characteristics at 20 ppm: green, fruity, apple-skin and oily

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.

Health Hazard

Vapors of n-hexanol are irritant to the eyesand respiratory tract. Application of the liquid produced severe irritation in rabbits’eyes. It exhibits narcotic effects at high concentrations. The oral LD50 value in mice isin the range 2000 mg/kg.

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.

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


1-Hexanol Suppliers

Global( 273)Suppliers
Supplier Tel Fax Email Country ProdList Advantage
Shenzhen Sendi Biotechnology Co.Ltd.
0755-23311925 18102838259
0755-23311925 Abel@chembj.com CHINA 3194 55
Henan DaKen Chemical CO.,LTD.
+86-371-55531817
info@dakenchem.com CHINA 21676 58
Henan Tianfu Chemical Co.,Ltd.
0371-55170693
0371-55170693 info@tianfuchem.com CHINA 20672 55
Mainchem Co., Ltd.
+86-0592-6210733
+86-0592-6210733 sales@mainchem.com CHINA 32447 55
Anhui Royal Chemical Co., Ltd.
+86-025-86736275
dana.jiang@royal-chem.com CHINA 488 55
career henan chemical co
+86-371-86658258
sales@coreychem.com CHINA 30001 58
Chemwill Asia Co.,Ltd.
86-21-51086038
86-21-51861608 chemwill_asia@126.com;sales@chemwill.com;chemwill@hotmail.com;chemwill@gmail.com CHINA 23980 58
Hubei Jusheng Technology Co.,Ltd.
86-18871470254
027-59599243 sales@jushengtech.com CHINA 28236 58
Jinan Finer Chemical Co., Ltd
+86-531-88989536
+86-531-88989539 sales@finerchem.com CHINA 947 58
Haihang Industry Co.,Ltd
86-531-88032799
+86 531 8582 1093 export@haihangchem.com CHINA 8921 58

View Lastest Price from 1-Hexanol manufacturers

Image Release date Product Price Min. Order Purity Supply Ability Manufacturer
2018-12-17 1-Hexanol
111-27-3
US $1.00 / kg 1 g 99% 100KG career henan chemical co

1-Hexanol Spectrum


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