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1-Heptanol


EC / List no.: 203-897-9
CAS no.: 111-70-6
Mol. formula: C7H16O

1-Heptanol is an alcohol with a seven carbon chain and the structural formula of CH3(CH2)6OH.
1-Heptanol is a clear colorless liquid that is very slightly soluble in water, but miscible with ether and ethanol.

Overview
There are three other isomers of heptanol that have a straight chain, 2-heptanol, 3-heptanol, and 4-heptanol, which differ by the location of the alcohol functional group.

Heptanol is commonly used in cardiac electrophysiology experiments to block gap junctions and increase axial resistance between myocytes. 
Increasing axial resistance will decrease conduction velocity and increase the heart's susceptibility to reentrant excitation and sustained arrhythmias.

1-Heptanol has a pleasant smell and is used in cosmetics for its fragrance.


1-heptanol is an alkyl alcohol that is heptane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. 
1-Heptanol has been isolated from Capillipedium parviflorum. 
1-Heptanol has a role as a plant metabolite, a fragrance and a flavouring agent. 
1-Heptanol is a primary alcohol, an alkyl alcohol and a volatile organic compound. 
1-Heptanol derives from a hydride of a heptane.

Watery colorless liquid with a weak alcohol odor. 
Floats on water

Industry Uses    
 Intermediates
 Plasticizers

Methods of Manufacturing
Prepared from heptaldehyde by reduction with iron filings in dilute acetic acid.
Other methods include reaction between pentane and ethylene oxide in presence of anhydrous aluminum bromide: I.G. Farbenind., French patent 716,604.
And action of amyl magnesium bromide on ethylene oxide.

By reduction of enanthic aldehyde, which is a distillation product of castor oil.

General Manufacturing Information
Industry Processing Sectors
 All other basic organic chemical manufacturing
 Plastic material and resin manufacturing

Application
1-Heptanol can be used:
As a co-solvent in binary and ternary systems to estimate the liquid-liquid interaction parameters.
In the synthesis of heptyl oleate ester from oleic acid.
As a reducing agent in the synthesis of copper nanoparticles via hydroxyl ion-assisted alcohol reduction of copper salts in the presence of oleylamine.

Odor: apple; apricot; coconut; musty; oily; woody; citrus; nutty; fruity; strawberry; vanilla; vegetable; meaty; green; wine-like

1-Heptanol, also known as heptan-1-ol or heptyl alcohol, 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-Heptanol is a hydrophobic molecule, poorly miscible in water, but fairly miscible in organic solvents. 
Thus, 1-heptanol is considered to be a fatty alcohol lipid molecule. 
1-Heptanol is a primary alcohol with a seven-carbon chain and the structural formula of CH3(CH2)6OH.
It is a clear colorless liquid that is very slightly soluble in water, but miscible with ether and ethanol. 
1-Heptanol is found in alcoholic beverages, in a few essential oils (Rosa rugosa), in plum and plum brandy, Bourbon vanilla, banana, morello cherry, orange, guava fruit, pineapple. 
1-Heptanol has a pleasant smell and is used in cosmetics for its fragrance.

1-Heptanol is found in alcoholic beverages. 
1-Heptanol is found in a few essential oils, e.g. Rosa rugosa. 
Also present in roasted peanut, roasted filbert, plum brandy, rice bran, cooked rice, peated malt, Bourbon vanilla, banana, morello cherry, orange, guava fruit, pineapple and plum. 
1-Heptanol is a flavouring ingredient.
1-Heptanol is an alcohol with a seven carbon chain and the structural formula of CH3(CH2)6OH. 
It is a clear colorless liquid that is very slightly soluble in water, but miscible with ether and ethanol


Formula
C7H16O
Formula Weight
116.20
Melting point
-34°
Boiling Point
175-176°
Flash Point
73°(163°F)
Density
0.820
Refractive Index
1.4240
Storage & Sensitivity
Ambient temperatures.
Solubility
Soluble in water 1.7 g/L at 25°C.
Applications
1-Heptanol, is used in the fragrance industry due to its pleasant smell.

Notes
Store in cool place. 
Keep container tightly closed in a dry and well-ventilated place.
Stable under recommended storage conditions. 
Incompatible to strong oxidizing agents, acid chlorides, acid anhydrides.


Description
Heptyl alcohol has a faint, aromatic, fatty odor and a pungent, spicy taste. It may be synthesized by reduction of enanthic aldehyde, which is a distillation product of castor oil.
Chemical Properties
Heptyl alcohol has a fragrant, woody, heavy, oily, faint, aromatic, fatty odor and a pungent, spicy taste.

Chemical Properties
colourless liquid

Occurrence
Reported found in a few essential oils, hyacinth, violet leaves, Litsea zeylanica Also reported found in apple, banana, citrus peel oils, orange juice, bilberry, cranberry, blueberry, other berries, currants, melon, papaya, peach, pear, pineapple, asparagus, peas, potato, mustard, cheeses, butter, milk, meats, hop oil, beer, cognac, rum, bourbon whiskey, grape wines, cocoa, tea, flberts, pecans, peanuts, soybeans, passion fruit juice, olive, macadamia nuts, mango, tamarind, fgs, cardamom, rice, calamus, dill, corn, malt, kiwifruit, truffe, nectarine, crab, crayfsh, clams and other sources

Uses
1-Heptanol have also been used in the fragrance industry due to its pleasant smell.
Production Methods
1-Heptanol is produced by reacting hexenes with carbon monoxide in the oxo process or by the catalytic reduction of heptaldehyde.
It has little commercial value except in fragrances and as an artificial flavoring agent.

Preparation
By reduction of enanthic aldehyde, which is a distillation product of castor oil.
Aroma threshold values
Detection: 3 ppb.

1-Heptanol is an alcohol with a seven carbon chain and the structural formula of CH3(CH2)6OH. 
It is a clear colorless liquid that is very slightly soluble in water, but miscible with ether and ethanol.

Heptanol is commonly used in cardiac electrophysiology experiments to block gap junctions and increase axial resistance between myocytes. 
Increasing axial resistance will decrease conduction velocity and increase the heart's susceptibility to reentrant excitation and sustained arrhythmias.

1-Heptanol has a pleasant smell and is used in cosmetics for its fragrance.


1-Heptanol is an alcohol with a seven carbon chain and the structural formula of CH3(CH2)6OH. 
It is a clear colorless liquid that is very slightly soluble in water, but miscible with ether and ethanol.


The 1-HEPTANOL molecule contains a total of 24 atom(s). There are 16 Hydrogen atom(s), 7 Carbon atom(s) and 1 Oxygen atom(s). 
A chemical formula of 1-HEPTANOL can therefore be written as:

C7H16O

The chemical formula of 1-HEPTANOL shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.

The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. 
The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. 
Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.


1-Heptanol is an alcohol with a seven carbon chain and the structural formula of CH3(CH2)6OH.

APPLICATION of 1- HEPTANOL
H 1300 (OTTO) 1-Heptanol, 99%+ Cas 111-70-6 - used as a synthesis intermediate in the fragrances and flavors


Roles Classification 
Biological Role(s):    
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
flavouring agent
A food additive that is used to added improve the taste or odour of a food.

Application(s):    
fragrance
A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
flavouring agent
A food additive that is used to added improve the taste or odour of a food.


Density    0.8±0.1 g/cm3
Boiling Point: 176.9±3.0 °C at 760 mmHg
Melting Point: −36 °C(lit.)
Molecular Formula: C7H16O
Molecular Weight: 116.201
Flash Point: 73.9±0.0 °C
Exact Mass: 116.120117
PSA: 20.23000
LogP: 2.47
Vapour Pressure    0.3±0.7 mmHg at 25°C
Index of Refraction: 1.422
Stability: Stable. Flammable. Incompatible with strong acids, strong oxidizing agents.
Water Solubility: 2.85 g/L (100 ºC)

Watery colorless liquid with a weak alcohol odor. Floats on water. (USCG, 1999);Liquid;Liquid;COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.;colourless liquid/citrus odour

About 1-Heptanol
Helpful information
1-Heptanol is registered under the REACH Regulation and is manufactured in and / or imported to the European Economic Area, at ≥ 100 to < 1 000 tonnes per annum.

1-Heptanol is used by professional workers (widespread uses), in formulation or re-packing, at industrial sites and in manufacturing.

Consumer Uses
ECHA has no public registered data indicating whether or in which chemical products the substance might be used. ECHA has no public registered data on the routes by which 1-Heptanol is most likely to be released to the environment.

Article service life
ECHA has no public registered data on the routes by which 1-Heptanol is most likely to be released to the environment. ECHA has no public registered data indicating whether or into which articles the substance might have been processed.

Widespread uses by professional workers
1-Heptanol is used in the following products: pH regulators and water treatment products and laboratory chemicals.
1-Heptanol is used in the following areas: health services and scientific research and development.
Other release to the environment of 1-Heptanol 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).
Formulation or re-packing
ECHA has no public registered data indicating whether or in which chemical products the substance might be used. Release to the environment of 1-Heptanol can occur from industrial use: formulation of mixtures.
Uses at industrial sites
1-Heptanol is used in the following products: pH regulators and water treatment products and laboratory chemicals.
1-Heptanol has an industrial use resulting in manufacture of another substance (use of intermediates).
1-Heptanol is used in the following areas: health services and scientific research and development.
1-Heptanol is used for the manufacture of: chemicals.
Release to the environment of 1-Heptanol can occur from industrial use: as an intermediate step in further manufacturing of another substance (use of intermediates), in processing aids at industrial sites and as processing aid.
Manufacture
Release to the environment of 1-Heptanol can occur from industrial use: manufacturing of the substance.

IUPAC NAMES: 
1-Heptanol
Heptan-1-ol
heptan-1-ol
Heptan-1-ol
heptanol
n-Heptanol

SYNONYMS:
1-HEPTANOL
Heptan-1-ol
Heptyl alcohol
111-70-6
Heptanol
n-Heptanol
n-Heptyl alcohol
Enanthic alcohol
Gentanol
n-Heptan-1-ol
Enanthyl alcohol
1-Hydroxyheptane
Alcohol C-7
Hydroxy heptane
n-Heptanol-1
NSC 3703
Heptane-1-ol
UNII-8JQ5607IO5
l'Alcool n-heptylique primair
1-Heptanol, 98%
MFCD00002986
HEPTYL ALCOHOL, N-
FEMA 2548
NSC370
8JQ5607IO5
Hydroxyheptane
Hexyl carbinol
DSSTox_CID_1937
C7 alcohol
DSSTox_RID_76413
DSSTox_GSID_21937
53535-33-4
Fatty alcohol(C7)
Pri-n-heptyl alcohol
Heptyl alcohol, primary
FEMA Number 2548
Heptyl alcohol (natural)
N-Heptanol-1 [French]
1-heptyl alcohol
CAS-111-70-6
FEMA No. 2548
HSDB 1077
EINECS 203-897-9
BRN 1731686
l'Alcool N-heptylique primaire [French]
AI3-15363
heptanol-1Alcohol C7
1-Hept
Heptyl alcohol, 8C
ACMC-1BWJZ
CCCCCCC[O]
EC 203-897-9
n-C7H15OH
SCHEMBL2077
WLN: Q7
4-01-00-01731 (Beilstein Handbook Reference)
CHEMBL273459
Heptyl alcohol, natural, 98%
1-Heptanol, analytical standard
DTXSID802193
BDBM22605
CHEBI:43003
CHEBI:88619
NSC-3703
ZINC1666984
EINECS 258-615-7
Tox21_201247
Tox21_303470
1-Heptanol, >=99.5% (GC)
7816AF
ANW-16310
LMFA05000122
STL280281
Heptyl alcohol, >=97%, FCC, FG
AKOS000120104
MCULE-5882959353
1-Heptanol, purum, >=99.0% (GC)
NCGC00249005-01
NCGC00257506-01
NCGC00258799-01
LS-13378
FT-060787
184020-EP2269986A1
184020-EP2272817A1
184020-EP2380568A1
A802399
Q113820
J-002619
F0001-0245
Z1259087039

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