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1-Hexanol

General Description Uses Content Analysis maximum level Preparation Production methods Hazards & Safety Information
1-Hexanol
1-Hexanol
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
explosive limit
1.2-7.7%(V)
Water Solubility 
6 g/L (25 ºC)
Merck 
14,4697
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
  • Hazard and Precautionary Statements (GHS)
Hazard Codes  Xn
Risk Statements  22
Safety Statements  24/25
RIDADR  UN 2282 3/PG 3
WGK Germany  1
RTECS  MQ4025000
TSCA  Yes
HazardClass  3
PackingGroup  III
HS Code  29051900
Hazardous Substances Data 111-27-3(Hazardous Substances Data)
Symbol(GHS):
Signal word: Warning
Hazard statements:
Code Hazard statements Hazard class Category Signal word Pictogram P-Codes
H226 Flammable liquid and vapour Flammable liquids Category 3 Warning
H302 Harmful if swallowed Acute toxicity,oral Category 4 Warning P264, P270, P301+P312, P330, P501
H313 May be harmful in contact with skin Acute toxicity,dermal Category 5 P312
H319 Causes serious eye irritation Serious eye damage/eye irritation Category 2A Warning P264, P280, P305+P351+P338,P337+P313P
Precautionary statements:
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P240 Ground/bond container and receiving equipment.
P241 Use explosion-proof electrical/ventilating/lighting/…/equipment.
P280 Wear protective gloves/protective clothing/eye protection/face protection.
P303+P361+P353 IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

1-Hexanol price More Price(25)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 471402 1-Hexanol anhydrous, ≥99% 111-27-3 1l $153.5 2017-11-08 Buy
Sigma-Aldrich 471402 1-Hexanol anhydrous, ≥99% 111-27-3 2l $220.5 2017-11-08 Buy
TCI Chemical H0130 1-Hexanol >98.0%(GC) 111-27-3 25mL $14 2017-12-01 Buy
TCI Chemical H0130 1-Hexanol >98.0%(GC) 111-27-3 500mL $17 2017-12-01 Buy
Alfa Aesar A18232 1-Hexanol, 99% 111-27-3 500ml $17.1 2017-11-08 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.

Chemical Properties

Colourless liquid (odour recognition threshold 0.09ppm)

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.

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( 234)Suppliers
Supplier Tel Fax Email Country ProdList Advantage
Shenzhen Sendi Biotechnology Co.Ltd.
0755-23311925 18102838259
0755-23311925 Abel@chembj.com CHINA 3218 55
Henan DaKen Chemical CO.,LTD.
+86-371-55531817
inquiry@dakenchem.com CHINA 22144 58
Henan Tianfu Chemical Co.,Ltd.
0371-55170693
0371-55170693 info@tianfuchem.com CHINA 20803 55
Mainchem Co., Ltd.
+86-0592-6210733
+86-0592-6210733 sales@mainchem.com CHINA 32765 55
Anhui Royal Chemical Co., Ltd.
+86-025-86736275
dana.jiang@royal-chem.com CHINA 786 55
J & K SCIENTIFIC LTD. 400-666-7788 +86-10-82848833
+86-10-82849933 jkinfo@jkchemical.com;market6@jkchemical.com China 96815 76
Meryer (Shanghai) Chemical Technology Co., Ltd. +86-(0)21-61259100(Shanghai) +86-(0)755-86170099(ShenZhen) +86-(0)10-62670440(Beijing)
+86-(0)21-61259102(Shanghai) +86-(0)755-86170066(ShenZhen) +86-(0)10-88580358(Beijing) sh@meryer.com China 40399 62
Alfa Aesar 400-610-6006; 021-67582000
021-67582001/03/05 saleschina@alfa-asia.com China 30308 84
TCI (Shanghai) Development Co., Ltd. 800-988-0390
021-67121385 sales@tcishanghai.com.cn China 22909 81
Beijing dtftchem Technology Co., Ltd. 13651141086; 86(10)60275028、60275820
86 (10) 60270825 dtftchem@sina.com China 1443 62

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