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CAS No.: | 3391-86-4 |
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Name: | 1-Octen-3-ol |
Article Data: | 164 |
Molecular Structure: | |
Formula: | C8H16O |
Molecular Weight: | 128.214 |
Synonyms: | Oct-1-en-3-ol;Amyl vinyl carbinol;Matsutake alcohol;Vinyl amyl carbinol;3-Hydroxy-1-octene;Mushroom alcohol;1-octene-3-ol; |
EINECS: | 222-226-0 |
Density: | 0.834 g/cm3 |
Melting Point: | -49 °C |
Boiling Point: | 168.4 °C at 760 mmHg |
Flash Point: | 61.1 °C |
Solubility: | Not miscible or difficult to mix in water. |
Appearance: | Clear colorless to pale yellow liquid |
Hazard Symbols: | Xn |
Risk Codes: | 22-36/38-20/21/22 |
Safety: | 26-36 |
Transport Information: | UN 2810 |
PSA: | 20.23000 |
LogP: | 2.11360 |
E-2,3-epoxy-1-octanyl tosylate
1-octen-3-ol
Conditions | Yield |
---|---|
With aluminum oxide; tellurium(2-) for 2.5h; | 100% |
With sodium hydroxide; tellurium; rongalite In tetrahydrofuran; water at 50℃; for 2h; | 80% |
With tellurium(2-) for 0.233333h; Product distribution; other reaction conditions, other reaction time, reagent, solvent; | |
Multi-step reaction with 2 steps 1: 97 percent / NaI / acetone / 3 h 2: 74 percent / Bu3SnAlEt2 / tetrahydrofuran / 1 h / 0 °C View Scheme |
3-(2-Methoxy-ethoxymethoxy)-oct-1-ene
1-octen-3-ol
Conditions | Yield |
---|---|
With pyridinium p-toluenesulfonate In tert-butyl alcohol for 3h; Heating; | 99% |
Conditions | Yield |
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With isocyanate de chlorosulfonyle; hydrogen; palladium diacetate; borohydride exchange resin In ethanol for 0.5h; | 97% |
With C16H26CuO In 2-methyl-propan-1-ol; toluene at 25℃; for 1h; | 92% |
With 2-methyl-propan-1-ol; [1,3-bis(2,6-di-iso-propylphenyl)imidazol-2-ylidene]copper(I) tert-butoxide In toluene at 25℃; for 1h; Inert atmosphere; Glovebox; chemoselective reaction; | 92% |
(E)-3-<(2-tetrahydropyranyl)oxy>-1-iodo-1-octene
1-octen-3-ol
Conditions | Yield |
---|---|
With trichloroisocyanuric acid In methanol at 20℃; for 5h; | 95% |
With water; lithium chloride In dimethyl sulfoxide at 90℃; for 6h; Hydrolysis; | 80% |
With magnesium bromide In diethyl ether for 2h; Ambient temperature; | 72% |
1-Octene, 3-(methoxymethoxy)-
1-octen-3-ol
Conditions | Yield |
---|---|
With pyridinium p-toluenesulfonate In tert-butyl alcohol for 3.5h; Heating; | 95% |
Conditions | Yield |
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With sodium tetrahydroborate In methanol at 20℃; for 4h; | 93% |
With isoindoline; lithium aluminium tetrahydride In diethyl ether at -15℃; for 1.5h; |
N,N-Diethyl-O-(1-vinyl-hexyl)-hydroxylamine
1-octen-3-ol
Conditions | Yield |
---|---|
With zinc In acetic acid Ambient temperature; | 93% |
Conditions | Yield |
---|---|
In tetrahydrofuran at 0℃; | 92% |
In tetrahydrofuran for 4h; Heating; | 75% |
In tetrahydrofuran at -15 - 20℃; | 74% |
Conditions | Yield |
---|---|
Stage #1: 1-Bromopentane With magnesium In tert-butyl methyl ether for 1h; Reflux; Stage #2: acrolein In tert-butyl methyl ether at -5 - 2℃; for 1h; | 92% |
Stage #1: 1-Bromopentane With iodine; magnesium In diethyl ether at 0℃; Inert atmosphere; Stage #2: acrolein In diethyl ether for 1.5h; Inert atmosphere; | 85% |
Stage #1: 1-Bromopentane With iodine; magnesium In diethyl ether Inert atmosphere; Stage #2: acrolein In diethyl ether at 0℃; | 85% |
3-Nitrooxy-oct-1-ene
1-octen-3-ol
Conditions | Yield |
---|---|
With acetic acid; zinc | 83% |
Molecular Structure of 1-Octen-3-ol (CAS NO.3391-86-4):
IUPAC Name: Oct-1-en-3-ol
Canonical SMILES: CCCCCC(C=C)O
InChI: InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3
InChIKey: VSMOENVRRABVKN-UHFFFAOYSA-N
Molecular Weight: 128.21204 [g/mol]
Molecular Formula: C8H16O
XLogP3-AA: 2.6
H-Bond Donor: 1
H-Bond Acceptor: 1
EINECS: 222-226-0
Index of Refraction: 1.438
Molar Refractivity: 40.33 cm3
Molar Volume: 153.5 cm3
Surface Tension: 28 dyne/cm
Density: 0.834 g/cm3
Flash Point: 61.1 °C
Enthalpy of Vaporization: 47.13 kJ/mol
Boiling Point: 168.4 °C at 760 mmHg
Vapour Pressure: 0.531 mmHg at 25 °C
Appearance: Clear colorless to pale yellow liquid
Melting Point: -49 °C
Product Categories: API intermediates; alcohol Flavor
1-Octen-3-ol (CAS NO.3391-86-4) is used in combination with carbon dioxide to attract insects in order to kill them with certain electronic devices. Its odor has been described as green and moldy or meaty; it is used in certain perfumes.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 56mg/kg (56mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02545, | |
rabbit | LD50 | skin | 3300mg/kg (3300mg/kg) | Food and Cosmetics Toxicology. Vol. 14, Pg. 681, 1976. | |
rat | LD50 | oral | 340mg/kg (340mg/kg) | Food and Cosmetics Toxicology. Vol. 14, Pg. 681, 1976. |
Reported in EPA TSCA Inventory.
Safety Information of 1-Octen-3-ol (CAS NO.3391-86-4):
Hazard Codes: Xn
Risk Statements: 22-36/38-20/21/22
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R22:Harmful if swallowed.
R36/38:Irritating to eyes and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
RIDADR: 2810
WGK Germany: 3
RTECS: RH3300000
HazardClass: 6.1(b)
PackingGroup: III
Poison by ingestion and intravenous routes. Moderately toxic by skin contact. When heated to decomposition it emits acrid smoke and irritating fumes.
1-Octen-3-ol (CAS NO.3391-86-4), its Synonyms are 1-Okten-3-ol ; 1-Vinylhexanol ; 3-Hydroxy-1-octene ; 3-Octenol ; Amyl vinyl carbinol ; Amylvinylcarbinol ; Matsuica alcohol ; Matsutake alcohol ; Pentyl vinyl carbinol ; Pentylvinylcarbinol ; Vinyl amyl carbinol .