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| CAS No.: | 111-70-6 |
|---|---|
| Name: | 1-Heptanol |
| Molecular Structure: | |
|
|
|
| Formula: | C7H16O |
| Molecular Weight: | 116.203 |
| Synonyms: | n-Heptyl aloohol;Heptylalcohol (8CI);1-Hydroxyheptane;Enanthic alcohol;Gentanol;NSC 3703;n-Heptan-1-ol;n-Heptanol;n-Heptyl alcohol; |
| EINECS: | 203-897-9 |
| Density: | 0.822 g/cm3 |
| Melting Point: | -36 °C(lit.) |
| Boiling Point: | 176.9 °C at 760 mmHg |
| Flash Point: | 73.9 °C |
| Solubility: | 2.85 g/L (100 °C) in water |
| Appearance: | colourless liquid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-36 |
| Safety: | 36-36/37/39-26 |
| PSA: | 20.23000 |
| LogP: | 1.94910 |
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| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate; palladium diacetate In methanol at 20℃; for 1h; | 96% |
- 18132-93-9
heptanol trimethylsilyl ether
- 111-70-6
n-heptan1ol
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| In toluene for 24h; Alkylation; reduction; Title compound not separated from byproducts.; | A 95% B 2% |
| Conditions | Yield |
|---|---|
| With hydrogen In ethanol; benzene | 95% |
- 111-70-6
n-heptan1ol
| Conditions | Yield |
|---|---|
| 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. |
- 111-70-6
n-heptan1ol
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With bromine In chloroform for 2.5h; Ambient temperature; | A 89 % Chromat. B 3 % Chromat. C 1 % Chromat. D 94% |
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Chemistry
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
.
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.
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. |
Safety Profile
Hazard Codes: 
Xn
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