Toxicity data
(The meaning o
trans-tert-butyl(hex-2-en-1-yloxy)dimethylsilane
(E)-2-Hexen-1-ol
Conditions | Yield |
---|---|
With phosphomolybdic acid hydrate; silica gel In tetrahydrofuran at 20℃; for 0.5h; | 97% |
With hafnium tetrakis(trifluoromethanesulfonate) In methanol at 20℃; for 1h; | 96% |
(E)-1-(methoxymethoxy)hex-2-ene
(E)-2-Hexen-1-ol
Conditions | Yield |
---|---|
With pyridinium p-toluenesulfonate In butanone for 10h; Heating; | 94% |
(E)-1-(2-Methoxy-ethoxymethoxy)-hex-2-ene
(E)-2-Hexen-1-ol
Conditions | Yield |
---|---|
With pyridinium p-toluenesulfonate In butanone for 11h; Heating; | 94% |
Conditions | Yield |
---|---|
With bis(cyclopentadienyl)dihydrozirconium In isopropyl alcohol at 130℃; for 8h; | 93% |
With phosphotungstic acid; sodium tetrahydroborate In methanol | 93% |
With isopropyl alcohol; zirconium(IV) oxide for 6h; Rate constant; Heating; | 92% |
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride In tetrahydrofuran for 5h; Heating; | 90% |
With lithium aluminium tetrahydride In tetrahydrofuran for 1.5h; Heating; | 90.5% |
With lithium aluminium tetrahydride In tetrahydrofuran; diethyl ether for 2h; Heating; | 87% |
ethyl (E)-hex-2-enoate
(E)-2-Hexen-1-ol
Conditions | Yield |
---|---|
With diisobutylaluminium hydride at 0 - 20℃; | 85% |
With diisobutylaluminium hydride In dichloromethane; toluene at -78 - 20℃; Inert atmosphere; | 79% |
With lithium aluminium tetrahydride In diethyl ether at 20℃; for 3h; Heating; | 55% |
3-Methylselanyl-hex-1-ene
(E)-2-Hexen-1-ol
Conditions | Yield |
---|---|
With dihydrogen peroxide In pyridine; dichloromethane at 20℃; | 85% |
Conditions | Yield |
---|---|
With acetic acid; zinc In water at 20℃; for 0.333333h; Green chemistry; | A 21% B 79% |
Conditions | Yield |
---|---|
With methanesulfonic acid In tetrahydrofuran; water at 20℃; for 12h; | 76% |
(2S*,3S*)-1-Acetoxy-2,3-epoxyhexane
(E)-2-Hexen-1-ol
Conditions | Yield |
---|---|
With tellurium; lithium triethylborohydride In tetrahydrofuran at 0℃; for 0.2h; | 70% |
(E)-1-bromo-2-hexene
(E)-2-Hexen-1-ol
Conditions | Yield |
---|---|
With potassium hydroxide; tetrafluoroboric acid; sodium hydrogencarbonate; mercury(II) oxide In 1,4-dioxane 1.) room temp., 2 h; | 65% |
Conditions | Yield |
---|---|
With Beauveria sulfurescens In dimethyl sulfoxide at 20℃; for 48h; | A 37% B 63% |
With hydrogen In hexane at 50℃; under 30003 Torr; for 18h; Reagent/catalyst; Autoclave; chemoselective reaction; |
(E)-tert-butyl(hex-2-en-1-yloxy)diphenylsilane
(E)-2-Hexen-1-ol
Conditions | Yield |
---|---|
With tetrabutyl ammonium fluoride In tetrahydrofuran at 20℃; for 0.75h; | 53% |
(E)-2-Hexenal
A
(E)-2-Hexen-1-ol
B
(4E,8E)-dodeca-4,8-diene-6,7-diol
dl-(E,E)-6,7-dihydroxydodeca-4,8-diene
Conditions | Yield |
---|---|
With zinc In water at 70℃; for 2h; Green chemistry; | A 10% B n/a C n/a |
With acetic acid; zinc In ethanol at 20℃; Flow reactor; |
epoxybutene
diethyl ether
ethylmagnesium bromide
A
(E)-2-Hexen-1-ol
B
5-hexen-3-ol
C
2-ethylbut-3-en-1-ol
Conditions | Yield |
---|---|
at 350℃; ueber Lebedew-Katalysator; |
(E)-2-Hexenoic acid
(E)-2-Hexen-1-ol
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride |
Conditions | Yield |
---|---|
at 350℃; ueber Lebedew-Katalysator; |
Conditions | Yield |
---|---|
With tetrahydrofuran; magnesium; mercury dichloride Erwaermen des Reaktionsgemisches mit wss.Kalilauge; |
Conditions | Yield |
---|---|
With copper(l) iodide In diethyl ether |
2-methyl-4,7-dihydro-1,3-dioxepine
ethylmagnesium bromide
A
trans-4-Octene
B
(Z)-2-hexen-1-ol
C
(E)-2-Hexen-1-ol
D
iso-butanol
Conditions | Yield |
---|---|
1,2-bis(diphenylphosphino)ethane nickel(II) chloride for 5h; Product distribution; Ambient temperature; regio- and stereoselectivity of Ni-catalyzed alkylation; various Grignard reagents; | A 47 % Chromat. B n/a C n/a D n/a |
1,2-bis(diphenylphosphino)ethane nickel(II) chloride for 5h; Ambient temperature; Yield given. Yields of byproduct given. Title compound not separated from byproducts; |
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide at -78℃; for 60h; | A 52 % Chromat. B 2 % Chromat. |
Conditions | Yield |
---|---|
With copper(l) iodide; lithium aluminium tetrahydride In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide at -78℃; for 60h; | A 12 % Chromat. B 63 % Chromat. C 1 % Chromat. |
methyl (E)-hex-2-enoate
(E)-2-Hexen-1-ol
Conditions | Yield |
---|---|
With diisobutylaluminium hydride In diethyl ether at -78℃; | |
With diisobutylaluminium hydride In tetrahydrofuran at -78 - 20℃; |
Conditions | Yield |
---|---|
With oxygen; rose bengal; triphenylphosphine Product distribution; multistep reaction: 1.) EtOH, 25 deg C, irradiation; other temperature (50 deg C); photosensitised oxidation of olefins, reduction of the hydroperoxides formed; |
Conditions | Yield |
---|---|
With oxygen; cobalt(II) acetate; triphenylphosphine Product distribution; multistep reaction: 1.) 25 deg C; other temperature (50 deg C); other catalysts; autooxidation of olefins, reduction of the hydroperoxides formed; |
trans-2-hexene
A
(E)-2-Hexen-1-ol
B
(E)-hex-4-en-3-ol
C
1-hexene-3-ol
D
(S,R)-trans-3-hexen-2-ol
E
cis-3-hexen-2-one
Conditions | Yield |
---|---|
With oxygen; cobalt(II) acetate; triphenylphosphine Product distribution; multistep reaction: 1.) 25 deg C; other temperature (50 deg C); other catalysts; autooxidation of olefins, reduction of the hydroperoxides formed; |
Conditions | Yield |
---|---|
triphenylsilyl perrhenate In dichloromethane at 0 - 30℃; Thermodynamic data; Product distribution; Rate constant; ΔH(excit.), ΔS(excit.); |
tetrahydrofuran
bromoethyl acetate
butyraldehyde
(E)-2-Hexen-1-ol
Conditions | Yield |
---|---|
Erhitzen des Reaktionsprodukts mit wss.Kalilauge; |
(E)-2-Hexen-1-ol
triphenylphosphine hydrobromide
<(E)-hex-2-enyl>triphenylphosphonium bromide
Conditions | Yield |
---|---|
In benzene for 10h; Heating; | 100% |
Conditions | Yield |
---|---|
With oxygen; 2,2,6,6-tetramethyl-piperidine-N-oxyl; copper(l) chloride In N,N-dimethyl-formamide at 25℃; for 1.75h; | 100% |
With manganese(IV) oxide; 3-mercapto-2-(mercaptomethyl)-ethyl propanoate; 4 A molecular sieve In dichloromethane Heating; | 100% |
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane at 20℃; for 16h; Inert atmosphere; | 99% |
(E)-2-Hexen-1-ol
2,3-epoxyhexanol
Conditions | Yield |
---|---|
With tert.-butylhydroperoxide In chloroform for 4h; Catalytic behavior; Reflux; | 100% |
With tert.-butylhydroperoxide In acetonitrile at 80℃; for 24h; Catalytic behavior; Reagent/catalyst; | 100% |
With tributyl-n-octylphosphonium peroxotantalate; dihydrogen peroxide In water at 0℃; Reagent/catalyst; Schlenk technique; chemoselective reaction; | 100% |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at -15℃; for 1h; Green chemistry; | 100% |
With triethylamine In dichloromethane at -15℃; for 1.5h; | 100% |
With triethylamine In tetrahydrofuran at 0℃; for 3h; | 99% |
Conditions | Yield |
---|---|
With n-butyllithium In tetrahydrofuran; hexane at -80℃; for 48h; | 100% |
With n-butyllithium 1) hexane, THF, -78 deg C, 2) -78 deg C, 72 h; Multistep reaction; | |
With potassium hydroxide |
(E)-2-Hexen-1-ol
Conditions | Yield |
---|---|
With pyridine; 1,4-diaza-bicyclo[2.2.2]octane; tetraethylammonium trichloride In dichloromethane Ambient temperature; | 100% |
Conditions | Yield |
---|---|
at 20℃; for 0.0833333h; Neat (no solvent); | 100% |
(E)-2-Hexen-1-ol
N-phenyl-benzimidoyl chloride
(E)-hex-2enyl N-phenylbenzimidate
Conditions | Yield |
---|---|
Stage #1: (E)-2-Hexen-1-ol With sodium hydride In tetrahydrofuran; mineral oil at 0 - 30℃; for 1.25h; Stage #2: N-phenyl-benzimidoyl chloride In tetrahydrofuran; mineral oil at 0 - 20℃; for 20h; | 100% |
(E)-2-Hexen-1-ol
(E)-N-benzyl-N-(hex-2-enyl)-2',4'-dinitrobenzenesulfonamide
Conditions | Yield |
---|---|
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at 0 - 20℃; for 19h; | 100% |
Conditions | Yield |
---|---|
With C37H40Cl2N2ORuS2 In tetrahydrofuran-d8 at 45℃; for 1h; Inert atmosphere; | A 100% B 100% |
Conditions | Yield |
---|---|
With scandium tris(trifluoromethanesulfonate) In acetonitrile for 0.0833333h; | 99% |
With dmap In diethyl ether at 20℃; for 16h; Inert atmosphere; | 89% |
With triethylamine; dmap In dichloromethane at 20℃; | 88% |
(E)-2-Hexen-1-ol
trichloroacetonitrile
(E)-2,2,2-trichloroacetimidic acid hex-2-enyl ester
Conditions | Yield |
---|---|
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane at 20℃; for 2h; | 99% |
With potassium hydroxide; tetra(n-butyl)ammonium hydrogensulfate In dichloromethane at -15 - 25℃; for 1h; | 95% |
With sodium hydride 1.) THF, 0 deg C, 1 h, 2.) THF, 1.5 h, RT; Yield given. Multistep reaction; | |
With sodium hydride 1.) THF, 0 deg C, 1 h, 2.) THF, RT, 1.5 h; Multistep reaction; | |
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane at 4℃; for 0.1h; |
(E)-2-Hexen-1-ol
cyclohexanone O-acetyl oxime
(E)-2-hexen-1-yl acetate
Conditions | Yield |
---|---|
With Cp*2Sm(THF)2 In toluene for 0.1h; Ambient temperature; | 99% |
(E)-2-Hexen-1-ol
tert-butyldimethylsilyl chloride
trans-tert-butyl(hex-2-en-1-yloxy)dimethylsilane
Conditions | Yield |
---|---|
With 1H-imidazole In dichloromethane at 0 - 20℃; Inert atmosphere; | 99% |
With 1H-imidazole In N,N-dimethyl-formamide at 20℃; | |
Wittig Reaction; |
Conditions | Yield |
---|---|
With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride In water | 99% |
(E)-2-Hexen-1-ol
2-bromohexanoic acid
2-bromohexanoic acid (E)-2-hexenyl ester
Conditions | Yield |
---|---|
Stage #1: 2-bromohexanoic acid With dicyclohexyl-carbodiimide In tetrahydrofuran at 20℃; for 0.25h; Inert atmosphere; Stage #2: (E)-2-Hexen-1-ol With dmap In tetrahydrofuran Inert atmosphere; | 99% |
Stage #1: 2-bromohexanoic acid With dicyclohexyl-carbodiimide In tetrahydrofuran at 20℃; for 0.25h; Inert atmosphere; Stage #2: (E)-2-Hexen-1-ol With dmap In tetrahydrofuran at 20℃; Inert atmosphere; |
Conditions | Yield |
---|---|
In dichloromethane at 0 - 20℃; for 2h; | 99% |
In dichloromethane at 20℃; for 2h; | 99% |
Conditions | Yield |
---|---|
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0℃; | 99% |
3,4-dihydro-2H-pyran
(E)-2-Hexen-1-ol
2-[((E)-Hex-2-enyl)oxy]-tetrahydro-pyran
Conditions | Yield |
---|---|
With lanthanum(III) nitrate at 20℃; for 3h; | 98% |
With ruthenium(III) acetate at 20℃; for 24h; | 95% |
With molybdenyl acetylacetonate In chloroform for 4h; Heating; | 70% |
With pyridinium p-toluenesulfonate In dichloromethane at 20℃; for 4h; |
(E)-2-Hexen-1-ol
2,3-epoxyhexan-1-ol
Conditions | Yield |
---|---|
With dihydrogen peroxide; K2[{W(O)(O2)2(H2O)}2(μ-O)]*2H2O In water at 31.84℃; for 5h; | 98% |
With dihydrogen peroxide In acetonitrile at 50℃; for 4h; | 94% |
With dihydrogen peroxide; tetraphenylphosphonium; sodium hydrogencarbonate; WO(O2)(QO)4 In acetonitrile at 25℃; for 0.5h; | 90% |
(E)-2-Hexen-1-ol
1-Bromo-1-phenylsulfanyl-3,3,3-trifluoroprop-1-ene
{(E)-3,3,3-Trifluoro-2-[((E)-hex-2-enyl)oxy]-propenylsulfanyl}-benzene
Conditions | Yield |
---|---|
With sodium hydride In diethyl ether for 1h; Ambient temperature; | 98% |
chloro-trimethyl-silane
(E)-2-Hexen-1-ol
(+/-)-1-(1-hexenyl)-1-(trimethylsilyl)methanol
Conditions | Yield |
---|---|
Stage #1: chloro-trimethyl-silane; (E)-2-Hexen-1-ol With n-butyllithium In tetrahydrofuran; hexane at -78 - 0℃; Stage #2: With tert.-butyl lithium In tetrahydrofuran; hexane; pentane at -78 - -30℃; anti-Brook rearrangement; | 98% |
Stage #1: (E)-2-Hexen-1-ol With n-butyllithium In tetrahydrofuran at -78℃; for 1h; Stage #2: chloro-trimethyl-silane In tetrahydrofuran at -78℃; for 2.5h; Stage #3: With sec.-butyllithium In tetrahydrofuran at -78℃; for 2h; | 68% |
Stage #1: (E)-2-Hexen-1-ol With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 1h; Inert atmosphere; Stage #2: chloro-trimethyl-silane In tetrahydrofuran; hexane for 2.5h; Inert atmosphere; Stage #3: With sec.-butyllithium In tetrahydrofuran; hexane; cyclohexane for 2h; Inert atmosphere; | 57% |
(E)-2-Hexen-1-ol
di-tert-butyl dicarbonate
(E)-tert-butyl hex-2-en-1-yl carbonate
Conditions | Yield |
---|---|
With dmap Heating; | 98% |
Stage #1: (E)-2-Hexen-1-ol With n-butyllithium In tetrahydrofuran; hexane at 0℃; for 0.5h; Inert atmosphere; Stage #2: di-tert-butyl dicarbonate In tetrahydrofuran; hexane at 0 - 20℃; Inert atmosphere; | 95% |
With tetra(n-butyl)ammonium hydrogensulfate | |
With tetra(n-butyl)ammonium hydrogensulfate; sodium hydroxide In water | |
In dichloromethane for 12h; Molecular sieve; |
(E)-2-Hexen-1-ol
benzyloxycarbonyl isocyanate
Conditions | Yield |
---|---|
In dichloromethane at 20℃; for 3h; | 98% |
Conditions | Yield |
---|---|
In dichloromethane at 20℃; for 4h; | 98% |
In dichloromethane at 20℃; for 4h; Inert atmosphere; |
(E)-2-Hexen-1-ol
1-bromovinyl p-tolyl sulphone
1-{1-Bromo-2-[((E)-hex-2-enyl)oxy]-ethanesulfonyl}-4-methyl-benzene
Conditions | Yield |
---|---|
With sodium hydride for 5h; Ambient temperature; | 97% |
Conditions | Yield |
---|---|
With phenyltrimethylammonium tribromide In acetonitrile at 25℃; for 12h; | 97% |
With iodine; Aliquat 336 at 20℃; for 3h; | 79% |
With iodine; silica gel; potassium carbonate In water at 20℃; for 3h; | 58% |
With phenyltrimethylammonium tribromide In acetonitrile at 20℃; for 12h; Sharpless aziridination; |
Conditions | Yield |
---|---|
aluminum oxide; cesium fluoride at 129.85℃; for 0.333333h; | 97% |
With MgLa mixed oxide at 125℃; for 2h; | 96% |
(E)-2-Hexen-1-ol
(E)-1-bromo-2-hexene
Conditions | Yield |
---|---|
With tetrabutylammomium bromide; (chloro-phenylthio-methylene)dimethylammonium chloride In dichloromethane at 20℃; Bromination; | 96% |
With phosphorus tribromide In diethyl ether | 90% |
With phosphorus tribromide In dichloromethane at 25℃; for 3h; Inert atmosphere; | 89% |
IUPAC Name: (E)-hex-2-en-1-ol
Molecular Formula: C6H12O
EINECS: 213-191-2
Liansport Information: UN 1987 3/PG 3
Density: 0.843 g/cm3
Molecular Weight: 100.18g/mol
Boiling Point: 159.6 °C at 760 mmHg
Flash Point: 61.7 °C
Solubility: soluble in alc, propylene glycol, fixed oils; very sltly sol in water.
Stability: stable, flammable, incompatible with strong oxidizing agents,strong acids.
Properties:Colorless liquid; fruity-green odor
Freely Rotating Bonds: 4
Polar Surface Area: 9.23Å2
Index of Refraction: 1.442
Molar Refractivity: 31.43 cm3
Molar Volume: 118.6 cm3
Polarizability: 12.46× 10-24 cm3
Surface Tension: 28.7 dyne/cm
Enthalpy of Vaporization: 46.15 kJ/mol
Vapour Pressure: 0.873 mmHg at 25°C
The Cas Register Number of 2-Hexen-1-ol, (E)- is 928-95-0.The chemical synonyms of 2-Hexen-1-ol, (E)- (CAS No.928-95-0) are (2E)-2-Hexen-1-ol ; (E)-2-Hexen-1-ol ; (E)-2-Hexene-1-ol ; (E)-2-hexenol ; (E)-Hex-2-en-1-ol ; (E)-hex-2-enol ; 2-(E)-hexenol ; 2-hexen-1-0l .Product categories of 2-Hexen-1-ol, (E)- (CAS No.928-95-0) are alcohol Flavor ; Alphabetical Listings ; Flavors and Fragrances ; G-H ; Acyclic ; Alkenes ; Organic Building Blocks .The molecular structure of 2-Hexen-1-ol, (E)- (CAS No.928-95-0) is .
It is used as flavor in food.
1. | skn-rbt 500 mg/24H | FCTXAV Food and Cosmetics Toxicology. 12 (1974),911. | ||
2. | orl-rat LD50:3500 mg/kg | FCTXAV Food and Cosmetics Toxicology. 12 (1974),911. | ||
3. | skn-rbt LD50:4500 mg/kg | FCTXAV Food and Cosmetics Toxicology. 12 (1974),911. |
Reported in EPA TSCA Inventory.
Moderately toxic by ingestion. Mildly toxic by skin contact. A skin irritant. Flammable liquid when exposed to heat, sparks, or flame. When heated to decomposition it emits acrid smoke and fumes. See also ALCOHOL, DENATURED; ALCOHOLS, C6-12; ALCOHOLS, C9-11; ALCOHOLS, C12-13, ETHOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED; ALCOHOLS, C12-16, ETHOXYLATED; ALCOHOLS, C14-15, ETHOXYLATED; ALCOHOLS, C16-18, ETHOXYLATED; ALCOHOLS, C8-10, ETHOXYLATED PROPOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED PROPOXYLATED; ALCOHOLS, N.O.S..
Hazard Codes: Xi
Risk Statements:10-36/37/38
R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system 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.
HazardClass:3
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