4-(tert-butyldimethylsilyloxy)acetophenone
4-Hydroxyacetophenone
Conditions | Yield |
---|---|
With water; potassium carbonate In ethanol at 75℃; for 16h; | 100% |
With water; 1,8-diazabicyclo[5.4.0]undec-7-ene In dimethyl sulfoxide at 20℃; for 0.0166667h; chemoselective reaction; | 97% |
With dichloro bis(acetonitrile) palladium(II) In water; acetone at 75℃; for 16h; | 96% |
Conditions | Yield |
---|---|
With calcium hydride; diphenyldisulfane In 1-methyl-pyrrolidin-2-one at 220℃; for 0.5h; | 100% |
With aniline; (ϖ-allyl)palladium triflate based catalyst at 30℃; for 1h; | 99% |
With palladium diacetate; sodium hydride In N,N-dimethyl acetamide at 20℃; for 4h; Inert atmosphere; | 93% |
2-methyl-2-(4-hydroxyphenyl)-1,3-dithiane
4-Hydroxyacetophenone
Conditions | Yield |
---|---|
With dihydrogen peroxide; tantalum pentachloride; sodium iodide In water; ethyl acetate at 20℃; for 1h; | 100% |
With dihydrogen peroxide; tantalum pentachloride; sodium iodide In water; ethyl acetate at 20℃; for 1h; | 100% |
With iron(III)-acetylacetonate; dihydrogen peroxide; sodium iodide In water; ethyl acetate at 20℃; for 0.3h; | 90% |
With Amberlite IR-120; palladium on activated charcoal In methanol for 8h; Heating; | 88% |
With β‐cyclodextrin; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In acetone at 20℃; for 2.5h; | 85% |
4-Iodoacetophenone
4-Hydroxyacetophenone
Conditions | Yield |
---|---|
With sodium hydroxide; copper(l) iodide; L-proline In water at 20 - 300℃; microwave irradiation; | 100% |
Stage #1: 4-Iodoacetophenone With copper(l) iodide; tetra(n-butyl)ammonium hydroxide In water at 60℃; for 24h; Inert atmosphere; Sealed tube; Stage #2: With hydrogenchloride In water; ethyl acetate at 20℃; for 2h; Inert atmosphere; chemoselective reaction; | 96% |
With copper(l) iodide; potassium hydroxide In water at 100℃; Inert atmosphere; | 96% |
4-Hydroxyacetophenone
Conditions | Yield |
---|---|
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In aq. phosphate buffer; dichloromethane at 0 - 20℃; for 22.5h; pH=7; | 100% |
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In aq. phosphate buffer; dichloromethane at 0 - 20℃; for 22.5h; | 100% |
4’-benzenesulfoxyacetophenone
4-Hydroxyacetophenone
Conditions | Yield |
---|---|
With potassium hydroxide In toluene; tert-butyl alcohol at 100℃; for 0.5h; Inert atmosphere; | 100% |
4-hydroxyacetophenone semicarbazone
4-Hydroxyacetophenone
Conditions | Yield |
---|---|
With hydrogenchloride; Tonsil In ethyl acetate for 1.5h; Heating; | 99.5% |
With copper dichloride In acetonitrile for 0.5h; Heating; | 98% |
With ammonium persulfate; montmorrilonite K10 clay In solid for 1h; Irradiation; ultrasound irradiation; | 94% |
1-(4-hydroxyphenyl)ethanol
4-Hydroxyacetophenone
Conditions | Yield |
---|---|
With silica-supported Jones reagent In dichloromethane for 0.00269444h; | 99.3% |
With bismuth (III) nitrate pentahydrate; cellulose supported copper(0); oxygen In acetonitrile at 60℃; for 0.5h; | 96% |
With N-Bromosuccinimide; β‐cyclodextrin In methanol; water; acetone at 20℃; for 10h; | 95% |
Conditions | Yield |
---|---|
With trifluorormethanesulfonic acid at 0 - 20℃; for 1h; Friedel-Crafts acylation; regiospecific reaction; | 99% |
With iron(III) chloride; lithium chloride In 1,2-dichloro-benzene at 70℃; for 5h; Reagent/catalyst; Temperature; | 90% |
Stage #1: phenol With aluminum (III) chloride In dichloromethane for 1h; Friedel Crafts acylation; Stage #2: acetyl chloride In dichloromethane for 14h; Friedel Crafts acylation; | 73.5% |
4'-benzyloxy-acetophenone
4-Hydroxyacetophenone
Conditions | Yield |
---|---|
With cyclohexa-1,4-diene; polymer-CH2NMe3Cl; palladium In ethanol at 55℃; for 1.5h; | 99% |
With palladium diacetate; sodium hydride In N,N-dimethyl acetamide at 25℃; for 1h; Inert atmosphere; | 99% |
With palladium diacetate; sodium hydride In N,N-dimethyl acetamide at 50℃; for 5h; Inert atmosphere; | 99% |
4-Hydroxyacetophenone
Conditions | Yield |
---|---|
With Oxone; water In acetone at 20℃; for 0.0333333h; | 99% |
With cyclohexanone monooxygenase from Acinetobacter sp.; phosphite dehydrogenase; NADPH In dimethyl sulfoxide at 24℃; for 24h; Tris/HCl buffer; Enzymatic reaction; chemoselective reaction; |
Conditions | Yield |
---|---|
With 1-n-butyl-3-methylimidazolim bromide at 200 - 220℃; for 0.5h; Microwave irradiation; Inert atmosphere; | 99% |
<4-Acetyl-phenyl>-tritylether
4-Hydroxyacetophenone
Conditions | Yield |
---|---|
With Aliquat 336; sodium carbonate; benzaldehyde In water at 70℃; for 10h; Reagent/catalyst; Time; Aldol Condensation; | 99% |
1-(4-(2-hydroxyethoxy)phenyl)ethanone
4-Hydroxyacetophenone
Conditions | Yield |
---|---|
With potassium hydroxide In dimethyl sulfoxide at 100℃; for 3h; Schlenk technique; | 99% |
4-Hydroxyacetophenone
Conditions | Yield |
---|---|
In aq. phosphate buffer pH=5.6; Irradiation; | 99% |
Conditions | Yield |
---|---|
With [(2-di-tert-butylphosphino-3-methoxy-6-methyl-2,4,6-triisopropyl-1,1-biphenyl)-2-(2-aminobiphenyl)]palladium(II) methanesulfonate; caesium carbonate; Benzaldoxime In N,N-dimethyl-formamide at 80℃; for 18h; Inert atmosphere; Glovebox; Sealed tube; | 98% |
With dicyclohexyl-(2′,4′,6′-triisopropyl-3,6-dimethoxy-[1,1′-biphenyl]-2-yl)phosphine; boric acid; palladium diacetate; caesium carbonate In 1-methyl-pyrrolidin-2-one at 80℃; for 24h; Schlenk technique; Inert atmosphere; | 98% |
With sodium hydroxide at 165℃; for 5h; Temperature; Reagent/catalyst; | 97% |
4-acetyloxyacetophenone
4-Hydroxyacetophenone
Conditions | Yield |
---|---|
With indium(III) chloride; ammonium chloride; aluminium In ethanol; water at 80℃; for 11h; | 98% |
With ammonium acetate In methanol at 20℃; for 3.5h; | 95% |
With amberlyst-15 In methanol at 20℃; for 2.5h; | 95% |
Conditions | Yield |
---|---|
With 1-n-butyl-3-methylimidazolim bromide at 220℃; for 0.666667h; Inert atmosphere; Microwave irradiation; | 98% |
With 1-butylpyridinium bromide at 100℃; Microwave irradiation; Neat (no solvent); | 94% |
With sodium; diphenyldisulfane In 1-methyl-pyrrolidin-2-one for 0.25h; Heating; | 90% |
Conditions | Yield |
---|---|
With potassium fluoride; thiophenol In 1-methyl-pyrrolidin-2-one at 100℃; for 1h; | 98% |
With sodium; diphenyldisulfane In 1-methyl-pyrrolidin-2-one at 90℃; for 0.25h; | 90% |
With 1-methyl-pyrrolidin-2-one; potassium carbonate; thiophenol for 0.25h; Hydrolysis; debenzoylation; Heating; | 85% |
With potassium carbonate In 1-methyl-pyrrolidin-2-one at 100℃; for 3h; | 73% |
4-acetylphenylboronic acid
4-Hydroxyacetophenone
Conditions | Yield |
---|---|
With menadione; sodium hydrogencarbonate; sodium L-ascorbate In ethanol; water at 20℃; under 760.051 Torr; for 24h; pH=8.5; Darkness; Green chemistry; | 98% |
With tert.-butylhydroperoxide; potassium hydroxide In water at 20℃; for 0.166667h; | 97% |
With water; dihydrogen peroxide at 20℃; for 0.133333h; Green chemistry; | 97% |
Conditions | Yield |
---|---|
With dicyclohexyl-(2′,4′,6′-triisopropyl-3,6-dimethoxy-[1,1′-biphenyl]-2-yl)phosphine; boric acid; palladium diacetate; caesium carbonate In 1-methyl-pyrrolidin-2-one at 80℃; for 24h; Schlenk technique; Inert atmosphere; | 98% |
Stage #1: para-bromoacetophenone With copper(l) iodide; 2-methyl-8-quinolinol; tetra(n-butyl)ammonium hydroxide In water; dimethyl sulfoxide at 90℃; for 21h; Stage #2: With hydrogenchloride In water; N,N-dimethyl-formamide at 20℃; | 96% |
With copper(I) oxide; tetra(n-butyl)ammonium hydroxide; 1,10-phenanthroline-4,7-diol In water at 110℃; for 24h; Inert atmosphere; Schlenk technique; Sealed tube; Green chemistry; | 95% |
4-Hydroxyacetophenone
Conditions | Yield |
---|---|
With Ru(CH3CN)3(triphos)(OTf)2 (triphos = CH3C(CH2PPh2)3); acetone for 5h; Ambient temperature; | 97% |
4-Hydroxyacetophenone
Conditions | Yield |
---|---|
With indium; ammonium chloride In ethanol for 18h; Debenzylation; Heating; | 97% |
With indium; ammonium chloride In methanol for 18h; Heating; | 97% |
Conditions | Yield |
---|---|
Stage #1: methoxybenzene; acetyl chloride With aluminum (III) chloride; 1,2-dichloro-benzene at 5 - 10℃; for 3h; Stage #2: With ethane-1,2-dithiol at 35 - 40℃; for 2h; Stage #3: With hydrogenchloride at 25 - 100℃; pH=1 - 2; Cooling with ice; | 97% |
With ytterbium(III) triflate In carbon disulfide for 6h; Friedel-Crafts reaction; Heating; | 75% |
Conditions | Yield |
---|---|
With ammonium bicarbonate In water at 20℃; for 2h; Schlenk technique; | 97% |
1-(4-Hydroxyphenyl)-2-(2-methoxyphenoxy)-1-ethanol
A
2-methoxy-phenol
B
4-Hydroxyacetophenone
Conditions | Yield |
---|---|
With sodium tetrahydroborate; palladium on activated charcoal In water; ethyl acetate at 80℃; for 4h; | A n/a B 97% |
With C32H25Cl2N6O2Rh2(1+)*Cl(1-); sodium hydroxide In water at 110℃; for 18h; Inert atmosphere; | A 90% B 76% |
With C32H25Cl2N6O2Rh2(1+)*Cl(1-); sodium hydroxide In water at 110℃; for 18h; Inert atmosphere; Green chemistry; | A 90% B 76% |
With C22H17Cl3N3ORh; sodium hydroxide In water for 60h; Inert atmosphere; |
(E)-1-(4-hydroxyphenyl)ethan-1-one oxime
4-Hydroxyacetophenone
Conditions | Yield |
---|---|
With manganese triacetate In benzene for 2h; Heating; | 96% |
With zeolyte H-Y supported KMnO4 In 1,2-dichloro-ethane for 0.5h; Ambient temperature; | 83% |
4-hydroxyacetophenone oxime
4-Hydroxyacetophenone
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid at 20℃; for 0.0166667h; neat (no solvent); | 96% |
With water; dihydrogen peroxide; iodine In acetonitrile at 20℃; for 12h; | 92% |
With formic acid; silica gel for 0.05h; microwave irradiation; | 91% |
Conditions | Yield |
---|---|
With triethylene diamine nickel thiosulfate; water In chloroform at 20℃; for 0.0833333h; Hydrolysis; | 96% |
Conditions | Yield |
---|---|
With potassium hydroxide; hydrogen fluoride; acetic acid In ethyl acetate | 96% |
Multi-step reaction with 2 steps 1: acetic acid anhydride; concentrated H2SO4 2: AlCl3; carbon disulfide View Scheme | |
Multi-step reaction with 2 steps 1: acetic acid anhydride; concentrated H2SO4 2: AlCl3 / 175 °C View Scheme |
benzaldehyde
4-Hydroxyacetophenone
(E)-1-(4-hydroxyphenyl)-3-phenylprop-2-en-1-one
Conditions | Yield |
---|---|
With potassium hydroxide In ethanol; water at 0 - 20℃; for 24h; | 100% |
With cesium 12-tungstophosphate at 50℃; for 0.5h; Time; Claisen-Schmidt Condensation; Green chemistry; Further stages; | 98% |
In neat (no solvent) at 50℃; for 0.416667h; Claisen-Schmidt Condensation; Milling; Green chemistry; chemoselective reaction; | 95% |
Conditions | Yield |
---|---|
With potassium carbonate In acetone at 20℃; Reflux; | 100% |
With potassium carbonate In acetone Inert atmosphere; Reflux; | 100% |
With potassium carbonate In acetonitrile at 60℃; for 6h; | 99% |
Cyclopentyl bromide
4-Hydroxyacetophenone
1-(4-cyclopentyloxy-phenyl)-ethanone
Conditions | Yield |
---|---|
With caesium carbonate In acetonitrile at 80℃; for 3h; | 100% |
With sodium hydroxide |
Conditions | Yield |
---|---|
With potassium carbonate In water; ethyl acetate; acetone | 100% |
With potassium carbonate In N,N-dimethyl-formamide for 16h; Reflux; | 92% |
With potassium carbonate; potassium iodide In acetone Inert atmosphere; Reflux; | 78% |
Conditions | Yield |
---|---|
With copper nitrate - dinitrogen tetroxide adduct In acetone for 0.0833333h; Heating; | 100% |
With trichloroisocyanuric acid; silica gel; sodium nitrite In dichloromethane at 20℃; for 0.333333h; | 97% |
With poly(ethylene glycol)-N2O4 In dichloromethane at 20℃; for 0.333333h; | 95% |
4-Hydroxyacetophenone
1-(4-hydroxyphenyl)ethanol
Conditions | Yield |
---|---|
Stage #1: 4-Hydroxyacetophenone With sodium tetrahydroborate at 60℃; for 1h; Ball milling; neat (no solvent); Stage #2: With water regiospecific reaction; | 100% |
With sodium tetrahydroborate In ethanol for 5h; | 99.6% |
With sodium isopropylate; acetonitrile In isopropyl alcohol at 80℃; for 5h; Catalytic behavior; | 99% |
4-Hydroxyacetophenone
4-hydroxyacetophenone oxime
Conditions | Yield |
---|---|
With hydroxylamine hydrochloride; sodium acetate In ethanol; water Reflux; | 100% |
With hydroxylamine hydrochloride; sodium acetate In water for 1h; Heating; | 98% |
With hydroxylamine hydrochloride; sodium acetate In ethanol; water Reflux; | 91% |
Conditions | Yield |
---|---|
Stage #1: 4-Hydroxyacetophenone With N-ethyl-N,N-diisopropylamine In tetrahydrofuran for 0.0333333h; Stage #2: Hexanoyl chloride In tetrahydrofuran for 0.25h; | 100% |
With sodium hydroxide; tetra(n-butyl)ammonium hydroxide In dichloromethane for 1.5h; Ambient temperature; | 89% |
With sodium hydroxide; tetra(n-butyl)ammonium hydroxide In dichloromethane for 2.33333h; Ambient temperature; | 84% |
With pyridine In benzene |
3,4-dihydro-2H-pyran
4-Hydroxyacetophenone
1-(4-(tetrahydro-2H-pyran-2-yloxy)phenyl)ethanone
Conditions | Yield |
---|---|
With pyridinium p-toluenesulfonate In dichloromethane for 1.5h; Ambient temperature; | 100% |
With pyridinium p-toluenesulfonate In dichloromethane at 20℃; for 4h; | 95% |
Stage #1: 4-Hydroxyacetophenone With pyridinium p-toluenesulfonate In dichloromethane at 20℃; for 0.5h; Stage #2: 3,4-dihydro-2H-pyran In dichloromethane at 20℃; for 4h; | 95% |
Conditions | Yield |
---|---|
With potassium carbonate; potassium iodide In acetone at 20℃; for 17h; | 100% |
Stage #1: 4-Hydroxyacetophenone With potassium carbonate In acetone at 20℃; Inert atmosphere; Stage #2: benzyl bromide In acetone for 12h; Reflux; Inert atmosphere; | 100% |
Stage #1: 4-Hydroxyacetophenone With potassium carbonate In acetone at 20℃; for 1h; Stage #2: benzyl bromide In acetone for 12h; Reflux; | 100% |
1,3-chlorobromopropane
4-Hydroxyacetophenone
1-[4-(3-chloropropoxy)phenyl]ethanone
Conditions | Yield |
---|---|
With potassium carbonate In acetone at 65℃; for 18h; | 100% |
With potassium carbonate In acetone at 65℃; | 99% |
With potassium carbonate In acetone at 65℃; | 99% |
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide; toluene at 25℃; for 24h; | 100% |
With potassium carbonate In acetone Reflux; | 100% |
Stage #1: 4-Hydroxyacetophenone With potassium carbonate In acetone at 20℃; for 0.166667h; Stage #2: propargyl bromide With potassium carbonate In toluene at 50℃; for 2h; Inert atmosphere; | 96% |
3-chloro-3-methylbut-1-yne
4-Hydroxyacetophenone
4-(1,1-dimethylprop-2-ynyloxy)acetophenone
Conditions | Yield |
---|---|
With potassium carbonate; potassium iodide In N,N-dimethyl-formamide at 60℃; | 100% |
With copper(l) iodide; potassium carbonate; potassium iodide In N,N-dimethyl-formamide at 65℃; | 85% |
With potassium carbonate In acetone for 18h; Reflux; | 81% |
1-bromo-5-chloropentane
4-Hydroxyacetophenone
4-chloropentoxyacetophenone
Conditions | Yield |
---|---|
100% | |
With potassium carbonate In acetone | |
With potassium hydroxide In methanol for 24h; Heating; |
trifluoromethylsulfonic anhydride
4-Hydroxyacetophenone
4-acetophenyl triflate
Conditions | Yield |
---|---|
With triethylamine at -40℃; for 0.25h; | 100% |
With pyridine In dichloromethane at -15℃; for 1h; | 99% |
With triethylamine In dichloromethane at 0 - 20℃; for 16h; | 95% |
2-Methoxyethoxymethyl chloride
4-Hydroxyacetophenone
1-(4-((2-methoxyethoxy)methoxy)phenyl)ethanone
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In dichloromethane for 4h; | 100% |
With potassium carbonate In acetone for 1h; Heating; |
Conditions | Yield |
---|---|
With potassium carbonate In acetone Heating; | 100% |
With potassium hydroxide; 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate at 25℃; for 2h; Williamson synthesis; | 99% |
With potassium carbonate In acetone Heating; | 98% |
Conditions | Yield |
---|---|
With hydroxylamine hydrochloride In acetonitrile at 110℃; for 1h; Solvent; Time; chemoselective reaction; | 100% |
With hydroxylamine hydrochloride; tetrachlorosilane at 160℃; for 0.0583333h; microwave irradiation; | 92% |
With mesitylenesulfonylhydroxylamine In acetonitrile at 20℃; for 6h; | 92% |
Conditions | Yield |
---|---|
With sodium hydride In benzene for 0.5h; | 100% |
triisopropylsilyl chloride
4-Hydroxyacetophenone
1-(4-((triisopropylsilyl)oxy)phenyl)ethanone
Conditions | Yield |
---|---|
With 1H-imidazole In N,N-dimethyl-formamide at 20℃; for 0.166667h; Inert atmosphere; | 100% |
With 1H-imidazole In N,N-dimethyl-formamide for 3h; | |
With 1H-imidazole In tetrahydrofuran at 35℃; for 20h; |
tert-butyldimethylsilyl chloride
4-Hydroxyacetophenone
4-(tert-butyldimethylsilyloxy)acetophenone
Conditions | Yield |
---|---|
With 1H-imidazole In N,N-dimethyl-formamide at 20℃; for 24h; | 100% |
With 1H-imidazole In N,N-dimethyl-formamide at 20℃; Schlenk technique; Inert atmosphere; | 100% |
With P(MeNCH2CH2)3N; triethylamine In acetonitrile at 24℃; for 2h; | 99% |
1,3,5-Tris(bromomethyl)benzene
4-Hydroxyacetophenone
1-{4-[3,5-di(4-acetylphenoxymethyl)benzyloxy]phenyl}-1-ethanone
Conditions | Yield |
---|---|
With Aliquat 336; potassium carbonate; potassium iodide In acetone for 48h; Heating; | 100% |
With Aliquat 336; potassium carbonate; potassium iodide In acetone for 48h; Heating; | 95% |
p-toluenesulfonyl chloride
4-Hydroxyacetophenone
4-acetylphenyl p-toluenesulfonate
Conditions | Yield |
---|---|
With potassium carbonate In tetrahydrofuran; water at 0 - 20℃; for 2h; Green chemistry; | 100% |
With triethylamine; dmap In dichloromethane for 2h; | 100% |
With triethylamine In dichloromethane at 20℃; for 3h; | 98% |
tert-butylchlorodiphenylsilane
4-Hydroxyacetophenone
1-(4-((tertbutyldiphenylsilyl)oxy)phenyl)ethan-1-one
Conditions | Yield |
---|---|
With 1H-imidazole In N,N-dimethyl-formamide at 20℃; for 3h; | 100% |
With 1H-imidazole In N,N-dimethyl-formamide at 20℃; | |
Stage #1: 4-Hydroxyacetophenone With 1H-imidazole In dichloromethane at 20℃; for 3h; Inert atmosphere; Stage #2: tert-butylchlorodiphenylsilane In dichloromethane at 20℃; Inert atmosphere; | |
With 1H-imidazole In N,N-dimethyl-formamide at 23℃; for 24h; Inert atmosphere; |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 20℃; | 100% |
4-Hydroxyacetophenone
Benzyl bromoacetate
benzyl 2-(4-acetylphenoxy)acetate
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 1.5h; Williamson ether synthesis; | 100% |
With potassium carbonate In N,N-dimethyl-formamide at 75 - 80℃; for 1.5h; | 79.8% |
Reported in EPA TSCA Inventory.
4'-Hydroxyacetophenone, its CAS NO. is 99-93-4, and the synonyms are 1-(4-Hydroxyphenyl)ethanone; 4-Acetylphenol; 4-Hydroksyacetofenol; Acetophenone, 4'-hydroxy-; Acetophenone, p-hydroxy-; Methyl p-hydroxyphenyl ketone; Phenol, p-acetyl-; Piceol; p-Acetylphenol; p-Hydroxyacetophenone; p-Hydroxyphenyl methyl ketone; p-Oxyacetophenone. It is a clear liquid or crystals; melting point 19 - 20 C; boiling point 202 C; very slightly soluble in water. It is used as a polymerization catalyst for the manufacture of olefins. It is used as an intermediate for pharmaceuticals, agrochemicals and other organic compounds.
Physical properties about 4'-Hydroxyacetophenone are: (1)ACD/LogP: 1.399; (2)ACD/LogD (pH 5.5): 1.40; (3)ACD/LogD (pH 7.4): 1.32; (4)ACD/BCF (pH 5.5): 6.80; (5)ACD/BCF (pH 7.4): 5.72; (6)ACD/KOC (pH 5.5): 137.14; (7)ACD/KOC (pH 7.4): 115.44; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.552; (12)Molar Refractivity: 38.162 cm3; (13)Molar Volume: 119.394 cm3; (14)Polarizability: 15.129 10-24cm3; (15)Surface Tension: 43.9830017089844 dyne/cm; (16)Density: 1.14 g/cm3; (17)Flash Point: 121.232 °C; (18)Enthalpy of Vaporization: 57.61 kJ/mol; (19)Boiling Point: 312.975 °C at 760 mmHg
When you are using this chemical, please be cautious about it as the following:|
1. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
2. Wear suitable protective clothing and gloves;
3. Wear suitable gloves and eye/face protection;
4. Avoid contact with skin and eyes;
5. Do not breathe dust;
6. Wear suitable protective clothing;
You can still convert the following datas into molecular structure:
(1)InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3;
(2)InChIKey=TXFPEBPIARQUIG-UHFFFAOYSA-N;
(3)Smilesc1(C(C)=O)ccc(O)cc1;
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 200mg/kg (200mg/kg) | National Technical Information Service. Vol. AD277-689, | |
mouse | LD50 | oral | 1500mg/kg (1500mg/kg) | Medicina Experimentalis. Vol. 11, Pg. 137, 1964. |
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