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Cas Database |
| Name |
1,8-Octanediol |
EINECS | 211-090-8 |
| CAS No. | 629-41-4 | Density | 0.939 g/cm3 |
| PSA | 40.46000 | LogP | 1.31160 |
| Solubility | Soluble in water and methanol. | Melting Point |
57-61 °C(lit.) |
| Formula | C8H18O2 | Boiling Point | 278.8 °C at 760 mmHg |
| Molecular Weight | 146.23 | Flash Point | 128 °C |
| Transport Information | N/A | Appearance | colorless to white crystals or flakes |
| Safety | 26-37/39 | Risk Codes | 20/21/22-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xn,  Xi
|
| Synonyms |
Octane-1,8-diol;18-Octanediol;1,8-Octandiol; |
Article Data | 87 |
1,8-Octanediol Synthetic route
- 629-41-4
1,8-Octanediol
| Conditions | Yield |
|---|---|
| With Pd(OH)2/C In methanol for 5h; Reflux; | 96% |
- 51326-52-4
8-(tetrahydro-2H-pyran-2-yloxy)octan-1-ol
- 629-41-4
1,8-Octanediol
| Conditions | Yield |
|---|---|
| With tin(ll) chloride In methanol Substitution; | 95% |
| With cerium(III) chloride In methanol at 20℃; for 2h; detetrahydropyranylation; | 90% |
- 91898-31-6
tert-Butyl-[8-(2-methoxy-ethoxymethoxy)-octyloxy]-dimethyl-silane
- 629-41-4
1,8-Octanediol
| Conditions | Yield |
|---|---|
| With cerium(III) chloride In acetonitrile for 1h; Heating; | 92% |
- 69891-87-8
1,8-di(2-terahydropyranyloxy)-octane
- 629-41-4
1,8-Octanediol
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In methanol; water for 8h; Heating; | 89% |
| Conditions | Yield |
|---|---|
| With formic acid; F6P(1-)*C16H22N3Ru(1+); water In 1-methyl-pyrrolidin-2-one at 25℃; for 24h; Inert atmosphere; Sealed tube; | 89% |
| With 1-hydroxytetraphenylcyclopentadienyl(tetraphenyl-2,4-cyclopentadien-1-one)-μ-hydrotetracarbonyldiruthenium(II); Ru(Cp)(PPh2PytBu)2(MeCN)PF6; water In isopropyl alcohol at 80℃; for 3h; Inert atmosphere; regioselective reaction; | 80% |
| Conditions | Yield |
|---|---|
| With 4-methylmorpholine N-oxide In dimethyl sulfoxide at 20℃; for 65.5h; | A 26% B 83% |
| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride | 81% |
| With copper chromite at 250℃; under 308913 Torr; Hydrogenation; | |
| With ethanol; sodium | |
| With lithium aluminium tetrahydride; diethyl ether |
- 91898-33-8
tert-Butyl-(8-methoxymethoxy-octyloxy)-dimethyl-silane
A
- 629-41-4
1,8-Octanediol
B
- 91898-32-7
8-(tert-butyldimethylsiloxy)octan-1-ol
| Conditions | Yield |
|---|---|
| With dimethylboron bromide; sodium hydrogencarbonate 1) CH2Cl2, -78 deg C, 1h, 2) THF, 5 min; Yield given. Multistep reaction; | A n/a B 81% |
| With dimethylboron bromide; sodium hydrogencarbonate 1) CH2Cl2, -78 deg C, 1h, 2) THF, 5 min; Yield given. Multistep reaction; | A 10% B n/a |
| Conditions | Yield |
|---|---|
| With tetrabutyl ammonium fluoride In tetrahydrofuran; dichloromethane for 8h; Ambient temperature; | A 4% B 80% |
| With tetrabutyl ammonium fluoride In tetrahydrofuran; dichloromethane for 8h; Product distribution; Ambient temperature; var. silyl ethers; other reagents; selectivity of protecting group removal; | A 4% B 80% |
- 1403675-09-1
(1-(allyloxy)(8-(tert-butyl)dimethylsiloxy))octane
- 629-41-4
1,8-Octanediol
| Conditions | Yield |
|---|---|
| With Pd(OH)2/C In isopropyl alcohol for 1.5h; Reflux; | 78% |
1,8-Octanediol Chemical Properties
IUPAC Name: Octane-1,8-diol
Synonyms of 1,8-Octanediol (CAS NO.629-41-4): EINECS 211-090-8 ; Octane-1,8-diol
CAS NO: 629-41-4
Molecular Formula of 1,8-Octanediol (CAS NO.629-41-4): C8H18O2
Molecular Weight: 146.2273
Molecular Structure:
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Product Categories: Industrial/Fine Chemicals ; Miscellaneous ; alpha,omega-Alkanediols ; alpha,omega-Bifunctional Alkanes ; Monofunctional & alpha,omega-Bifunctional Alkanes ; Linear hydrocarbon series
Melting Point: 57-61 °C
Polar Surface Area: 18.46 Å2
Index of Refraction: 1.454
Molar Refractivity: 42.18 cm3
Molar Volume: 155.6 cm3
Surface Tension: 37 dyne/cm
Density of 1,8-Octanediol (CAS NO.629-41-4): 0.939 g/cm3
Flash Point: 128 °C
Enthalpy of Vaporization: 60.07 kJ/mol
Boiling Point: 278.8 °C at 760 mmHg
Vapour Pressure: 0.000507 mmHg at 25°C
1,8-Octanediol Uses
It can be used as intermediates of cosmetics, plasticizers and specialty additives.
1,8-Octanediol Production
It is derived by OCTYLDODECYL ETHYLHEXANOATE as raw materials, copper - chromium oxide as catalyst and hydrogenation at high temperature under high pressure.
1,8-Octanediol Safety Profile
Hazard Codes: 
Xi,Xn
Risk Statements: 20/21/22-36/37/38
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39: Wear suitable gloves and eye/face protection.
WGK Germany: 3
HS Code: 29053980
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