PRODUCTS

1-HEXANOL

1-HEXANOL = Hexan-1-ol

CAS Number : 111-27-3
EC Number : 203-852-3
ECHA InfoCard   : 100.003.503
PubChem CID   : 8103
ChemSpider   : 7812
ChEMBL   : ChEMBL14085
Chemical formula : C6H14O
Molar mass   : 102.177 g·mol−1
Density   : 0.82 g cm−3 (at 20 °C)
Melting point   : −45 °C
Boiling point   : 157 °C
Solubility in water   : 5.9 g/L (at 20 °C)
Appearance   : colorless liquid
Solubility in water   : 5.9 g/L (at 20 °C)

1-Hexanol (IUPAC name hexan-1-ol) is an organic alcohol with a six-carbon chain and a condensed structural formula of CH3(CH2)5OH.
This colorless liquid is slightly soluble in water, but miscible with diethyl ether and ethanol.
Two additional straight chain isomers of 1-hexanol, 2-hexanol and 3-hexanol, exist, both of which differing by the location of the hydroxyl group.
Many isomeric alcohols have the formula C6H13OH.
1-HEXANOL is used in the perfume industry.

Preparation of 1-HEXANOL
Hexanol is produced industrially by the oligomerization of ethylene using triethylaluminium followed by oxidation of the alkylaluminium products.

An idealized synthesis is shown:
Al(C2H5)3 + 6C2H4 → Al(C6H13)3
Al(C6H13)3 + 1+1⁄2O2 + 3H2O → 3HOC6H13 + Al(OH)3

The process generates a range of oligomers that are separated by distillation.

Alternative methods of 1-HEXANOL
Another method of preparation entails hydroformylation of 1-pentene followed by hydrogenation of the resulting aldehydes.
This method is practiced in industry to produce mixtures of isomeric C6-alcohols, which are precursors to plasticizers.

In principle, 1-hexene could be converted to 1-hexanol by hydroboration (diborane in tetrahydrofuran followed by treatment with hydrogen peroxide and sodium hydroxide):
This method is instructive and useful in laboratory synthesis but of no practical relevance because of the commercial availability of inexpensive 1-hexanol from ethylene.

Occurrence in nature of 1-HEXANOL
1-Hexanol is believed to be a component of the odour of freshly mown grass.
Alarm pheromones emitted by the Koschevnikov gland of honey bees contain 1-hexanol.
1-HEXANOL also is partly responsible for the fragrance of strawberries.

1-Hexanol is a natural product found in Eupatorium cannabinum, Vitis rotundifolia, and other organisms with data available.
1-Hexanol appears as a clear colorless liquid.
Flash point 149°F.
Less dense than water and insoluble in water.
Vapors heavier than air.

Hexan-1-ol is a primary alcohol that is hexane substituted by a hydroxy group at position 1.
1-Hexanol has a role as a plant metabolite.
1-Hexanol is a primary alcohol and a hexanol.

Use and Manufacturing of 1-Hexanol

Used to produce plasticizers, antiseptics, fragrances, pharmaceuticals, and finishing agents for textile and leather; Used as a flavoring agent and a solvent for fats, waxes, dyes, and paints; [CHEMINFO]
For 1-Hexanol (USEPA/OPP Pesticide Code: 079047) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./
The active ingredient is no longer contained in any registered pesticide products
Synthetic flavoring ingredient
Pharmaceuticals (introduction of hexyl group into hyponics, antiseptics, perfume esters, etc), solvent, plasticizer, intermediate for textile and leather finishing agents.

Industry Uses of 1-Hexanol
-Fuels and fuel additives
-Functional fluids (closed systems)
-Intermediates
-Lubricants and lubricant additives
-Paint additives and coating additives not described by other categories
-Plasticizers
-Processing aids, not otherwise listed
-Processing aids, specific to petroleum production
-Solids separation agents
-Surface active agents

Consumer Uses of 1-Hexanol
-Air care products
-Fabric, textile, and leather products not covered elsewhere
-Fuels and related products
-Non-TSCA use
-Personal care products
-Plastic and rubber products not covered elsewhere

Household Products of 1-Hexanol
Household & Commercial/Institutional Products
Information on 5 consumer products that contain hexan-1-ol in the following categories is provided:
-Auto Products
-Inside the Home

Methods of Manufacturing of 1-Hexanol
Addition of ethylene to triethylaluminum followed by oxidation of the growth product, hydrolysis, and fractional distillation; from condensation of n-butyraldehyde and acetaldehyde, followed by dehydration and hydrogenation.
Laboratory preparation by action of butylmagnesium bromide on ethylene oxide ... 1,3-hexadienal with iron wire in presence of nickel acetate

1-Hexanol is a linear primary alcohol.
1-Hexanol is formed as an intermediate during the catalytic transformation of cellulose.
The ability of 1,1,3,3-tetramethylguanidine (TMG) in 1-hexanol solvent system to capture carbon dioxide has been assessed.
The solubility of light fullerenes in 1-hexanol as a function of temperature and pressure was studied.
1-Hexanol is produced from coconut oil and palm oils.
1-Hexanol is used in the production of antiseptics, fragrances and perfumes.
1-Hexanol is also used as a solvent in the production of plasticizers.

1-Hexanol has been used as an odorant to study olfactory responses and to thin the dielectric layer of poly(4-vinylphenol) (PVP).
1-Hexanol is an organic alcohol with a six carbon chain and a condensed structural formula of CH3(CH2)5OH.
This colorless liquid is slightly soluble in water, but miscible with ether and ethanol.
Two additional straight chain isomers of 1-hexanol exist, 2-hexanol and 3-hexanol, both of which differ by the location of the hydroxyl group.
Many isomeric alcohols have the formula C6H13OH.
1-hexanol is believed to be a component of the odour of freshly mown grass.
1-Hexanol is used in the perfume industry.

1-Hexanol, a primary alcohol, is a surfactant that can be employed in industrial processes to enhance interfacial properties.
1-Hexanol uncouples mitochondrial respiration by a non-protonophoric mechanism.

Hexanol Application
1. Used for fragrance base and preparation of essential oils (such as geranium oil)
2. Small amount is used in violet, osmanthus, magnolia and ylang-ylang flavors to modify or increase the tenderness
3. Small amount for edible coconut formula, berries and various fruit flavors
4. Used as solvent and analytical reagent
5. Used in the pharmaceutical industry to prepare preservatives and sleeping pills
6. Used for the production of surfactants, plasticizers, fatty alcohols

1-Hexanol is used as a precursor to plasticizers, chemical intermediate for pharmaceuticals, perfume esters and antiseptics.
Further, 1-Hexanol serves as a perturbing agent on actomyosin adenosine triphosphatease.
In addition to this, it is used to modulate the function of actomyosin motor.
This Thermo Scientific brand product was originally part of the Alfa Aesar product portfolio.
Some documentation and label information may refer to the legacy brand.
The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific.

Miscible with ethanol, acetone, chloroform, ether, benzene.
Slightly miscible with carbon tetrachloride and water.

May cause first degree burns after short exposure and second degree burns after longer contact; [CHRIS] Undiluted 1-Hexanol is a mild irritant.
Application of 0.2 ml to 27-28 volunteers caused no noticeable skin effects.
1-Hexanol caused corneal burns from which patients recovered within 48 hours.
Ingestion can lead to symptoms of "alcohol" intoxication.

1-Hexanol, also known as 1-hexyl alcohol or 1-hydroxyhexane, belongs to the class of organic compounds known as fatty alcohols.
These are aliphatic alcohols consisting of a chain of a least six carbon atoms.
1-Hexanol is a very hydrophobic molecule, practically insoluble in water, and relatively neutral.
1-Hexanol is an organic alcohol with a six-carbon chain and a chemical formula of CH3(CH2)5OH.
This colorless liquid is poorly soluble in water, but miscible with ether and ethanol.

Two additional straight chain isomers of 1-hexanol exist, 2-hexanol and 3-hexanol, both of which differ by the location of the hydroxyl group.
Many isomeric alcohols have the formula C6H13OH.
1-hexanol is believed to be a component of the odour of freshly mown grass.
1-hexanol is used in the perfume industry and as a flavouring agent.
1-Hexanol is found in many plants, some of which are lemon, tea, yellow bell pepper, and hyssop.
1-Hexanol is a common constituent of essential oils (e.g. orange-peel oil).

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.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package.
1-Hexanol is a high production chemical that is widely used yet lacks a complete toxicological database.
1-Hexanol was nominated, but not tested, for carcinogenicity testing by the National Toxicology Program (NTP) because it is a high-volume chemical and a major metabolite of
di(2-ethylhexyl) phthalate, which is a known hepatocarcinogen and a known contaminant in blood storage bags.
1-Hexanol can be emitted from carpets and some plastics.
Occupational or non-occupational standards do not exist for this constituent.

1-Hexanol ‎111-27-3 is Colourless liquid.
1-Hexanol is also known as N-Hexanol, Hexyl Alcohol.
1-Hexanol is use in Flavoring additives, antiseptics, perfumes and plasticizers Industry.

Storage of 1-Hexanol:
Keep container tightly closed.
Keep container in a cool, well-ventilated area.

Waste Disposal of 1-Hexanol :
Waste must be disposed of in accordance with federal, state and local environmental control regulations.

1-Hexanol is an organic alcohol with a six-carbon chain and a condensed structural formula of CH3(CH2)5OH.
This colorless liquid is slightly soluble in water, but miscible with diethyl ether and ethanol.
1-Hexanol appears as a clear colorless liquid mixture of isomeric six-carbon alcohols with similar chemical properties.
Vapors are heavier than air.
Used to make pharmaceuticals and as a solvent.

1-Hexanol appears as a clear colorless liquid mixture of isomeric six-carbon alcohols with similar chemical properties.
Vapors are heavier than air.
Used to make pharmaceuticals and as a solvent.
|N-hexanol appears as a clear colorless liquid.
Flash point 149°F.
Less dense than water and insoluble in water.
Vapors heavier than air.|

1-Hexanol 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.
1-Hexanol 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.

1-Hexanol is mainly used to prepare coconut and berry flavor and used for the production of surfactants, plasticizers, fatty alcohols and so on.
1-Hexanol is also used for chromatography reagents and organic synthesis.
Gas chromatography analysis standards.
Lithium chloride was isolated from potassium chloride and sodium chloride.
Solvent.
In the synthesis of spices and the preparation of caproic acid; also used as gas chromatography reagents for Wittig and Aldol reactions.

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together.
The 1-Hexanol molecule contains a total of 20 bond(s) There are 6 non-H bond(s), 4 rotatable bond(s), 1 hydroxyl group(s) and 1 primary alcohol(s).
Images of the chemical structure of 1-Hexanol are given below:

Formula and structure of 1-Hexanol:
The chemical formula of 1-hexanol is C6H14O.
1-Hexanol is formed by a six-carbon linear chain with the formula CH3(CH2)5OH.
The molecular mass is 102.18 g mol-1.
1-Hexanol is one of the several isomers of 6-carbon-alcohols, for example: 2-hexanol, 3-hexanol, etc.
The chemical structures can be written as below, in the common representations used for organic molecules.

Physical properties: 1-Hexanol is a colorless, pleasant smell liquid.
Its melting point is -45°C and its boiling point is 157°C.
The density is 0.82 g mL-1.
1-Hexanol is slightly soluble in water and also soluble in organic solvent as diethyl ether and ethanol.

Chemical properties: 1-Hexanol one of the isomers of 6-carbon alcohols and its chemical properties are directly influenced by the position of the hydroxyl group; as it is at the end of the chain, a long hydrocarbon chain remains at the rest of the molecule, decreasing the solubility of compound in water.
Solubility of alcohols in water depends on the hydrogen bond and other polar interactions that can exist between the molecules in water, however, hydrocarbon chain cannot form any polar interaction, depending the solubility only of the hydroxyl group.

Uses: 1-Hexanol is used as an additive in fuels, paints and lubricants.
1-Hexanol is largely used in the perfume industry and it is also an intermediate in the preparation of other compounds.

FIRST AID of 1-Hexanol

Eye Contact :
Immediately flush with large amounts of water for at least 15 minutes, occasionally lifting upper and lower lids.
Seek medical attention immediately.

Skin Contact :
Remove contaminated clothing.
Wash contaminated skin with soap and water.

Breathing :
Remove the person from exposure.
Begin rescue breathing (using universal precautions) if breathing has stopped and CPR if heart action has stopped.
Transfer promptly to a medical facility.

Substance identity

EC / List no.: 203-852-3
CAS no.: 111-27-3
Mol. formula: C6H14O

Hazard classification & labelling of 1-HEXANOL
Warning! According to the harmonised classification and labelling (CLP00) approved by the European Union, 1-HEXANOL is harmful if swallowed.
Additionally, the classification provided by companies to ECHA in REACH registrations identifies that this substance is very toxic to aquatic life, is very toxic to aquatic life with long lasting effects, is harmful in contact with skin, causes serious eye damage, is a highly flammable liquid and vapour, may cause respiratory irritation and may cause drowsiness or dizziness.

About 1-HEXANOL
1-HEXANOL is registered under the REACH Regulation and is manufactured in and / or imported to the European Economic Area, at ≥ 10 000 to < 100 000 tonnes per annum.
1-HEXANOL is used by consumers, in articles, by professional workers (widespread uses), in formulation or re-packing, at industrial sites and in manufacturing.

Consumer Uses of 1-HEXANOL
1-HEXANOL is used in the following products: washing & cleaning products, coating products, biocides (e.g. disinfectants, pest control products), anti-freeze products, lubricants and greases, polishes and waxes and finger paints.
Other release to the environment of 1-HEXANOL is likely to occur from: indoor use (e.g. machine wash liquids/detergents, automotive care products, paints and coating or adhesives, fragrances and air fresheners) and outdoor use.

Article service life of 1-HEXANOL
Release to the environment of 1-HEXANOL can occur from industrial use: of articles where the substances are not intended to be released and where the conditions of use do not promote release and industrial abrasion processing with low release rate (e.g. cutting of textile, cutting, machining or grinding of metal).
Other release to the environment of 1-HEXANOL is likely to occur from: indoor use in long-life materials with low release rate (e.g. flooring, furniture, toys, construction materials, curtains, foot-wear, leather products, paper and cardboard products, electronic equipment) and outdoor use in long-life materials with low release rate (e.g. metal, wooden and plastic construction and building materials).

1-HEXANOL can be found in products with material based on: stone, plaster, cement, glass or ceramic (e.g. dishes, pots/pans, food storage containers, construction and isolation material), plastic (e.g. food packaging and storage, toys, mobile phones) and fabrics, textiles and apparel (e.g. clothing, mattress, curtains or carpets, textile toys).

Widespread uses by professional workers of 1-HEXANOL
1-HEXANOL is used in the following products: lubricants and greases, coating products, biocides (e.g. disinfectants, pest control products), fillers, putties, plasters, modelling clay, adhesives and sealants, non-metal-surface treatment products, washing & cleaning products, air care products, anti-freeze products and welding & soldering products.
1-HEXANOL is used in the following areas: building & construction work.
1-HEXANOL is used for the manufacture of: , mineral products (e.g. plasters, cement), machinery and vehicles, rubber products, plastic products and fabricated metal products.
Other release to the environment of 1-HEXANOL is likely to occur from: indoor use (e.g. machine wash liquids/detergents, automotive care products, paints and coating or adhesives, fragrances and air fresheners) and outdoor use.

Formulation or re-packing of 1-HEXANOL
1-HEXANOL is used in the following products: pH regulators and water treatment products, laboratory chemicals, perfumes and fragrances and cosmetics and personal care products.
1-HEXANOL has an industrial use resulting in manufacture of another substance (use of intermediates).
Release to the environment of 1-HEXANOL can occur from industrial use: formulation of mixtures and formulation in materials.

Uses at industrial sites of 1-HEXANOL
1-HEXANOL is used in the following products: lubricants and greases, fillers, putties, plasters, modelling clay, coating products, adhesives and sealants, non-metal-surface treatment products and pH regulators and water treatment products.
1-HEXANOL is used in the following areas: building & construction work.
1-HEXANOL is used for the manufacture of: , chemicals, mineral products (e.g. plasters, cement) and machinery and vehicles.
Release to the environment of 1-HEXANOL can occur from industrial use: in processing aids at industrial sites, in the production of articles, as an intermediate step in further manufacturing of another substance (use of intermediates), as processing aid and of substances in closed systems with minimal release.

Manufacture of 1-HEXANOL
Release to the environment of 1-HEXANOL can occur from industrial use: manufacturing of the substance.

Synonyms:
1-Hexanol
Hexan-1-ol
Hexyl alcohol
111-27-3
HEXANOL
n-Hexanol
n-Hexyl alcohol
Amylcarbinol
1-Hexyl alcohol
1-Hydroxyhexane
Caproyl alcohol
Pentylcarbinol
Caproic alcohol
n-Hexan-1-ol
C6 alcohol
Alcohol(C6)
Hexanol (VAN)
Fatty alcohol(C6)
EPAL 6
Hexyl alcohol (natural)
Alcohol C-6
UNII-6CP2QER8GS
NSC 9254
MFCD00002982
Hexanol-(1)
6CP2QER8GS
25917-35-5
CHEBI:87393
DSSTox_CID_1931
DSSTox_RID_76410
DSSTox_GSID_21931
Caswell No. 482E
Hydroxyhexane
Hexanols
FEMA Number 2567
CAS-111-27-3
HE2
FEMA No. 2567
HSDB 565
EINECS 203-852-3
EPA Pesticide Chemical Code 079047
BRN 0969167
Caproalcohol
Hexalcohol
HEXYL ALCOHOL, ACTIVE
n-hexylalcohol
AI3-08157
N-hexenol
Nat.Hexanol
Exxal 6
EINECS 247-346-0
HEXANOL-CMPD
Exxal 6 (Salt/Mix)
BDBM9
1-Hexanol, 98%
Hexyl alcohol, FCC, FG
EC 203-852-3
n-C6H13OH
SCHEMBL1877
NATURAL HEXYL ALCOHOL
C6H13OH
WLN: Q6
4-01-00-01694 (Beilstein Handbook Reference)
MLS001055374
UN 2282 (Salt/Mix)
BIDD:ER0298
CHEMBL14085
1-Hexanol, analytical standard
DTXSID8021931
1-Hexanol, anhydrous, >=99%
NSC9254
1-Hexanol, reagent grade, 98%
DTXSID001022586
HMS3039L08
BCP29486
NSC-9254
ZINC1699882
Tox21_201335
Tox21_302953
LMFA05000117
STL282713
UN2282
AKOS009031422
HY-W032022
MCULE-4299150163
Alcohol C-6, Natural, Natural Hexanol
1-Hexanol, purum, >=98.0% (GC)
1-Hexyl alcohol pound>>1-Hexylalcohol
NCGC00090949-01
NCGC00090949-02
NCGC00256385-01
NCGC00258887-01
Hexanols [UN2282] [Flammable liquid]
LS-13216
SMR000677945
1-Hexanol, SAJ special grade, >=99.0%
1-Hexanol, Vetec(TM) reagent grade, 98%
CS-0076046
FT-0607887
H0130
Hexyl alcohol, natural, >=98%, FCC, FG
EN300-19338
Q76933
1-Hexanol, ReagentPlus(R), >=99.5% (GC)
J-002549
F0001-0237
Z955123546
Hexan-1-ol
hexan-1-ol
Hexan-1-ol
1-esanolo (it)
1-heksanol (no)
1-heksanol (sl)
1-Heksanoli (fi)
1-heksanolis (lt)
1-hexanol (da)
1-Hexanol (de)
1-hexanol (es)
1-hexanol (nl)
1-hexanol (pt)
1-hexanol (sv)
1-εξανόλ (el)
alcool hexylique (fr)
alkohol heksylowy (pl)
Heksaan-1-ool (et)
heksan-1-ol (hr)
heksan-1-ol (pl)
heksanols-1 (lv)
hexan-1-ol (cs)
hexan-1-ol (fr)
hexan-1-ol (ro)
hexán-1-ol (hu)
hexán-1-ol (sk)
álcool hexílico (pt)
хексан-1-ол (bg)
1-Hexanol
1-HEXANOL
1-Hexanol
1-Hexanol
CLP Hexyl Alcohol
Hexal-1-ol
Hexan-1-ol
hexan-1-ol
Hexan-1-ol
hexan-1-ol
Hexanol
Hexyl Alcohol
1-Hydroxyhexane
Alfol 6
Amyl carbinol
Caproyl alcohol
Ecorol 6/99
Hexyl alcohol
Kalcol
Lincol 6
Lincol 68
n-Hexanol
n-Hexyl alcohol
Nacol 6
Nafol 64
Nafol 68
ThaiOL
111-27-3
220713-27-9
603-059-00-6
220713-27-9
111-27-3 [RN]
1-Hexanol [ACD/Index Name] [ACD/IUPAC Name]
1-Hexanol [German] [ACD/Index Name] [ACD/IUPAC Name]
1-Hexanol [French] [ACD/Index Name] [ACD/IUPAC Name]
1-hexyl alcohol
1-Hydroxyhexane
203-852-3 [EINECS]
4-01-00-01694 [Beilstein]
Caproic alcohol
Caproyl alcohol
hexan-1-ol
hexanol [Wiki]
Hexyl alcohol
MFCD00002982 [MDL number]
n-Hexan-1-ol
n-hexanol
n-Hexyl alcohol
1,1-Dideuteriohexan-1-ol
1-Hexan-d13-ol
1-hexanol [Portuguese] [ACD/Index Name] [ACD/IUPAC Name]
1-hexanol, purified
52598-04-6 [RN]
6-Bromohexan-1-ol [ACD/IUPAC Name]
BNG
B-Nonylglucoside
C8E
decane, 1,3,5,7-Tetraazatricyclo(3.3.1.13,7)
Epal 6
Exxal 6
Hexalin
Hexane [ACD/Index Name] [ACD/IUPAC Name]
Hexyl alcohol203-852-3MFCD00002982
Hexylalcohol
n-C6H13OH [Formula]