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1-Heptanol
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Name

1-Heptanol

 EINECS 203-897-9
CAS No. 111-70-6 Density 0.822 g/cm3
PSA 20.23000 LogP 1.94910
Solubility 2.85 g/L (100 °C) in water Melting Point -36 °C(lit.)
Formula C7H16O Boiling Point 176.9 °C at 760 mmHg
Molecular Weight 116.203 Flash Point 73.9 °C
Transport Information N/A Appearance colourless liquid
Safety 36-36/37/39-26 Risk Codes 20/21/22-36
Molecular Structure Molecular Structure of 111-70-6 (1-Heptanol) Hazard Symbols HarmfulXn
Synonyms

n-Heptyl aloohol;Heptylalcohol (8CI);1-Hydroxyheptane;Enanthic alcohol;Gentanol;NSC 3703;n-Heptan-1-ol;n-Heptanol;n-Heptyl alcohol;

Article Data 368

1-Heptanol Synthetic route

111-71-7

heptanal

111-70-6

n-heptan1ol

Conditions
ConditionsYield
With Triethoxysilane; potassium fluoride at 25℃; for 20h;100%
With Triethoxysilane; 1,3-Diphenylpropanone; potassium fluoride at 25℃; for 7h;100%
With 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane In benzene-d6 at 25℃; for 6h; Inert atmosphere; Glovebox; Sealed tube;98%
115306-89-3

1-<(tert-butyldimethylsilyl)oxy>heptane

111-70-6

n-heptan1ol

Conditions
ConditionsYield
With tetrabutyl ammonium fluoride In tetrahydrofuran for 21h; Ambient temperature;100%
With methanol at 20℃; for 2h;100%
sulfonic acid functionalized nanoporous silica In methanol at 35℃; for 1.2h;93%
With water; 2,3-dicyano-5,6-dichloro-p-benzoquinone In ethyl acetate at 20 - 25℃; for 26h;14%
132336-04-0

2-(heptyloxy)tetrahydro-2H-pyran

111-70-6

n-heptan1ol

Conditions
ConditionsYield
With methanol; Montmorillonite K-10 clay at 20℃; Methanolytic deprotection;97%
With bismuth(lll) trifluoromethanesulfonate In methanol for 0.0833333h; Heating;97%
With Oxone In methanol for 1.25h; Heating;82%
With bismuth(lll) trifluoromethanesulfonate In methanol; N,N-dimethyl-formamide at 110℃; for 24h;67%
2463-63-0

3-Butyl-acrolein

111-70-6

n-heptan1ol

Conditions
ConditionsYield
With sodium tetrahydroborate; palladium diacetate In methanol at 20℃; for 1h;96%
18132-93-9

heptanol trimethylsilyl ether

111-70-6

n-heptan1ol

Conditions
ConditionsYield
With Oxone In methanol for 0.15h; Heating;95%
With Nafion-H(R); silica gel In hexane at 20℃; for 0.416667h;95%
With ethylenebis(N-methylimidazolium) chlorochromate In acetonitrile for 1h; Reflux;92%
111-71-7

heptanal

C4H10Zn*C2H5Li

A

185019-15-2

nonan-3-ol

B

111-70-6

n-heptan1ol

Conditions
ConditionsYield
In toluene for 24h; Alkylation; reduction; Title compound not separated from byproducts.;A 95%
B 2%
111-71-7

heptanal

110-54-3

hexane

111-70-6

n-heptan1ol

Conditions
ConditionsYield
With hydrogen In ethanol; benzene95%

2-(heptyloxy)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

111-70-6

n-heptan1ol

Conditions
ConditionsYield
With silica gel In methanol at 50℃; for 3h;95%
With methanol; silica gel at 50℃; for 3h;82%
With hydrogenchloride In water
With methanol; silica gel at 50℃; for 1.91667h;88 %Spectr.

2-heptenal

111-70-6

n-heptan1ol

Conditions
ConditionsYield
With whole cell cultures of dichomitus albidofuscus at 24℃; for 96h; Darkness; Microbiological reaction;95%
89149-55-3

heptyl 4-methylbenzenesulfinate

A

629-04-9

1-Bromoheptane

B

111-70-6

n-heptan1ol

C

42474-21-5

1,2-dibromoheptane

D

1950-69-2

toluene-p-sulfonyl bromide

Conditions
ConditionsYield
With bromine In chloroform for 2.5h; Ambient temperature;A 89 % Chromat.
B 3 % Chromat.
C 1 % Chromat.
D 94%

1-Heptanol Chemical Properties

IUPAC Name: Heptan-1-ol
Molecular Formula: C7H16O
Molecular Weight: 116.23g/mol
EINECS: 203-897-9
Melting Point: -35 ºC
Freely Rotating Bonds: 6
Polar Surface Area: 9.23 Å2
Index of Refraction: 1.422
Molar Refractivity: 36.01 cm3
Molar Volume: 141.5 cm3
Polarizability: 14.27× 10-24cm3
Surface Tension: 28.5 dyne/cm
Density: 0.82 g/cm3
Flash Point: 73.9 °C
Enthalpy of Vaporization: 48.1 kJ/mol
Boiling Point: 176.9 °C at 760 mmHg
Vapour Pressure: 0.325 mmHg at 25°C 
The Cas Register Number of 1-Heptanol is 111-70-6 .The chemical synonyms of 1-Heptanol (CAS No.111-70-6) are N-Heptanol ; N-Heptyl alcohol ; Alcohol c7 ; 1-Heptanol ; 1-Heptanol alcohol ; Heptyl alcohol ; Heptan-1-ol ; Heptanol .Product categories of 1-Heptanol (CAS No.111-70-6) are 1-Alkanols ; Monofunctional & Alpha,omega-bifunctional Alkanes ; Monofunctional alkanes .The molecular structure of 1-Heptanol (CAS No.111-70-6) is.

1-Heptanol Uses

 1-Heptanol is commonly used in cardiac electrophysiology experiments to block gap junctions and increase axial resistance between myocytes.Because of it has a pleasant smell ,so it is used in cosmetics for its fragrance.

1-Heptanol Toxicity Data With Reference

1.    

ratLD50:500mg/kg

     Archives des Maladies Professionnelles de Medecine du Travail et de SecuriteSociale.Vol. 35, Pg. 501, 1974.
2.    

rabbitLD50:2gm/kg

     Archives des Maladies Professionnelles de Medecine du Travail et de Securite Sociale. Vol. 35, Pg. 501, 1974.
3.    

mouseLD50:1500mg/kg

     Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 31, Pg. 16, 1966.
4.    

mammal (species unspecified)LD50:4350mg/kg

     Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986.

1-Heptanol Safety Profile

Hazard Codes: HarmfulXn
Risk Statements: 20/21/22-36 
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
R36: Irritating to eyes.
Safety Statements: 36-36/37/39-26
S36: Wear suitable protective clothing.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.  
RIDADR: 2810
WGK Germany: 1
RTECS: MK0350000
HazardClass: 6.1(b)
PackingGroup: III
HS Code: 29051900

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