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1-Octen-3-ol

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Name

1-Octen-3-ol

EINECS 222-226-0
CAS No. 3391-86-4 Density 0.834 g/cm3
PSA 20.23000 LogP 2.11360
Solubility Not miscible or difficult to mix in water. Melting Point -49 °C
Formula C8H16O Boiling Point 168.4 °C at 760 mmHg
Molecular Weight 128.214 Flash Point 61.1 °C
Transport Information UN 2810 Appearance Clear colorless to pale yellow liquid
Safety 26-36 Risk Codes 22-36/38-20/21/22
Molecular Structure Molecular Structure of 3391-86-4 (1-Octen-3-ol) Hazard Symbols HarmfulXn
Synonyms

Oct-1-en-3-ol;Amyl vinyl carbinol;Matsutake alcohol;Vinyl amyl carbinol;3-Hydroxy-1-octene;Mushroom alcohol;1-octene-3-ol;

Article Data 164

1-Octen-3-ol Synthetic route

160080-95-5

E-2,3-epoxy-1-octanyl tosylate

3391-86-4

1-octen-3-ol

Conditions
ConditionsYield
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
88738-33-4

3-(2-Methoxy-ethoxymethoxy)-oct-1-ene

3391-86-4

1-octen-3-ol

Conditions
ConditionsYield
With pyridinium p-toluenesulfonate In tert-butyl alcohol for 3h; Heating;99%
818-72-4

1-Octyn-3-ol

3391-86-4

1-octen-3-ol

Conditions
ConditionsYield
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%
50999-80-9

(E)-3-<(2-tetrahydropyranyl)oxy>-1-iodo-1-octene

3391-86-4

1-octen-3-ol

Conditions
ConditionsYield
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%
88738-34-5

1-Octene, 3-(methoxymethoxy)-

3391-86-4

1-octen-3-ol

Conditions
ConditionsYield
With pyridinium p-toluenesulfonate In tert-butyl alcohol for 3.5h; Heating;95%
4312-99-6

oct-1-en-3-one

3391-86-4

1-octen-3-ol

Conditions
ConditionsYield
With sodium tetrahydroborate In methanol at 20℃; for 4h;93%
With isoindoline; lithium aluminium tetrahydride In diethyl ether at -15℃; for 1.5h;
73827-90-4

N,N-Diethyl-O-(1-vinyl-hexyl)-hydroxylamine

3391-86-4

1-octen-3-ol

Conditions
ConditionsYield
With zinc In acetic acid Ambient temperature;93%
1826-67-1

vinyl magnesium bromide

66-25-1

hexanal

3391-86-4

1-octen-3-ol

Conditions
ConditionsYield
In tetrahydrofuran at 0℃;92%
In tetrahydrofuran for 4h; Heating;75%
In tetrahydrofuran at -15 - 20℃;74%
110-53-2

1-Bromopentane

107-02-8

acrolein

3391-86-4

1-octen-3-ol

Conditions
ConditionsYield
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%
100009-47-0

3-Nitrooxy-oct-1-ene

3391-86-4

1-octen-3-ol

Conditions
ConditionsYield
With acetic acid; zinc83%

1-Octen-3-ol Chemical Properties

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 Uses

 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.

1-Octen-3-ol Toxicity Data With Reference

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.

1-Octen-3-ol Consensus Reports

Reported in EPA TSCA Inventory.

1-Octen-3-ol Safety Profile

Safety Information of 1-Octen-3-ol (CAS NO.3391-86-4):
Hazard Codes: HarmfulXn
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 Specification

 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 .

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