2,5-dimethoxybenzyl alcohol
2,5-dimethoxybenzaldehyde
Conditions | Yield |
---|---|
With potassium osmate(VI) dihydrate; potassium carbonate; potassium hexacyanoferrate(III) In water; acetonitrile at 60℃; for 0.75h; chemoselective reaction; | 100% |
With air; potassium carbonate In toluene at 20℃; for 8h; | 99% |
With aluminium trichloride; 1-benzyl-4-aza-1-azoniabicyclo[2.2.2]octane dichromate for 0.0166667h; Oxidation; | 96% |
1,1-diacetoxy-1-(2,5-dimethoxyphenyl)methane
2,5-dimethoxybenzaldehyde
Conditions | Yield |
---|---|
With [NO(1+)*18-crown-6*H(NO3)2(1-)]; silica gel In dichloromethane at 20℃; for 0.0833333h; | 100% |
With bismuth(III) chloride In chloroform for 0.166667h; deprotection; Heating; | 99% |
With aluminium trichloride In acetonitrile for 0.05h; Deacetylation; Heating; | 99% |
Dichloromethyl methyl ether
1,4-dimethoxybezene
2,5-dimethoxybenzaldehyde
Conditions | Yield |
---|---|
With titanium tetrachloride In dichloromethane at 0℃; | 100% |
With titanium tetrachloride In dichloromethane at -5 - 20℃; for 1.5h; Reagent/catalyst; Temperature; Inert atmosphere; | 97.6% |
With titanium tetrachloride In dichloromethane at 20℃; for 0.25h; |
octanol
2,5-dimethoxybenzyl alcohol
A
Octanal
B
2,5-dimethoxybenzaldehyde
Conditions | Yield |
---|---|
With air; potassium carbonate at 20℃; for 16h; | A 2% B 99% |
1-Phenylethanol
2,5-dimethoxybenzyl alcohol
A
2,5-dimethoxybenzaldehyde
B
acetophenone
Conditions | Yield |
---|---|
With air; potassium carbonate at 20℃; for 8h; | A 99% B 10% |
2,5-dimethoxybenzaldehyde
Conditions | Yield |
---|---|
With aluminium trichloride; 1-benzyl-4-aza-1-azoniabicyclo[2.2.2]octane dichromate at 20℃; for 0.0108333h; | 96% |
1,4-Dimethoxy-2-phenethyloxymethyl-benzene
A
2-phenylethanol
B
2,5-dimethoxybenzaldehyde
Conditions | Yield |
---|---|
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane; water at 20℃; for 2.5h; | A 95% B 16% |
2,5-dimethoxybenzaldehyde
Conditions | Yield |
---|---|
With aluminium trichloride; tetramethylammonium chlorochromate In acetonitrile for 1.08333h; Heating; | 95% |
With bismuth(III) chloride; benzyltriphenylphosphonium peroxymonosulfate In dichloromethane for 0.0583333h; microwave irradiation; | 80% |
With bismuth(III) chloride; benzyltriphenylphosphonium peroxymonosulfate In acetonitrile for 0.5h; Heating; | 75% |
With benzyltriphenylphosphonium chlorate; aluminium trichloride In acetonitrile for 8h; Heating; | 75% |
With aluminium trichloride; benzyltriphenylphosphonium chlorochromate In acetonitrile for 0.5h; Heating; | 75% |
2,5‐dimethoxybenzaldoxime
2,5-dimethoxybenzaldehyde
Conditions | Yield |
---|---|
With 2-iodoxybenzoic acid; β‐cyclodextrin In water; acetone at 20℃; for 12h; | 91% |
With iodobenzene; β‐cyclodextrin; potassium bromide In water; acetone at 20℃; for 12h; | 90% |
With N-Bromosuccinimide; β‐cyclodextrin In water; acetone at 20℃; for 0.333333h; | 80% |
2-(2,5-dimethoxyphenyl)-1,3-dithiane
2,5-dimethoxybenzaldehyde
Conditions | Yield |
---|---|
With 1,3,5-trichloro-2,4,6-triazine; dimethyl sulfoxide In dichloromethane at 20℃; for 1h; | 90% |
Conditions | Yield |
---|---|
With sulfuric acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone In acetonitrile at 80℃; for 5h; | 89% |
Conditions | Yield |
---|---|
With sodium azide; [bis(acetoxy)iodo]benzene In acetonitrile at 0 - 20℃; for 0.25h; | 89% |
Conditions | Yield |
---|---|
In acetone at 35 - 40℃; for 2h; Product distribution / selectivity; | 88.3% |
With tetrabutylammomium bromide In isopropyl alcohol at 35 - 40℃; for 0.5h; Product distribution / selectivity; | 70% |
In n-heptane; N,N-dimethyl-formamide for 0.5h; Product distribution / selectivity; Heating / reflux; | 62% |
Sodio 5-methoxy-salicylaldehyde
dimethyl sulfate
2,5-dimethoxybenzaldehyde
Conditions | Yield |
---|---|
In acetone for 3h; Product distribution / selectivity; Heating / reflux; | 88.3% |
2,5-dimethoxybenzaldehyde
Conditions | Yield |
---|---|
With aluminum oxide; potassium permanganate for 0.25h; Product distribution; Further Variations:; Reagents; reaction times; | 88% |
With aluminium trichloride; tetramethylammonium chlorochromate In acetonitrile for 1h; Heating; | 88% |
With bismuth(III) chloride; benzyltriphenylphosphonium peroxymonosulfate In dichloromethane for 0.0666667h; microwave irradiation; | 85% |
Conditions | Yield |
---|---|
With potassium carbonate In acetone at 20℃; for 18h; | 85% |
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 1h; | 73% |
With potassium hydroxide | |
With potassium carbonate In acetone at 25℃; for 20h; | |
With potassium carbonate In N,N-dimethyl-formamide at 25℃; for 16h; | 2.4 g |
5-(2',5'-dimethoxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
2,5-dimethoxybenzaldehyde
Conditions | Yield |
---|---|
With oxone In water; acetonitrile at 45℃; for 1h; Reagent/catalyst; Solvent; Temperature; | 84% |
Conditions | Yield |
---|---|
With [bis(acetoxy)iodo]benzene In tetrahydrofuran at 20℃; for 1h; | 78% |
Conditions | Yield |
---|---|
With potassium carbonate In acetone for 3h; Product distribution / selectivity; Heating / reflux; | 77% |
With sodium hydroxide | |
With sodium hydroxide In water at 65℃; for 0.5h; Yield given; |
1-tert-butyldimethylsilyloxymethyl-2,5-dimethoxybenzene
2,5-dimethoxybenzaldehyde
Conditions | Yield |
---|---|
With N-Bromosuccinimide; β‐cyclodextrin In ethyl acetate; acetone at 20℃; for 7h; | 72% |
N,N-dimethyl-formamide
1,4-dimethoxybezene
2,5-dimethoxybenzaldehyde
Conditions | Yield |
---|---|
With trichlorophosphate at 100℃; for 5h; | 66% |
With sodium hydroxide; pyrophosphoryl chloride 1) 100 deg C, 48 h; Yield given. Multistep reaction; |
2-naphthyl pivalate
A
2,5-dimethoxybenzaldehyde
B
5-methoxy-2-(naphthalen-2-yl)benzaldehyde
Conditions | Yield |
---|---|
Stage #1: 2-naphthyl pivalate; Cyclohexyl-[1-(2,5-dimethoxy-phenyl)-meth-(E)-ylidene]-amine With chromium dichloride; magnesium; 4,4'-di-tert-butyl-2,2'-bipyridine In tetrahydrofuran at 40℃; for 48h; Stage #2: With hydrogenchloride; water In tetrahydrofuran at 20℃; for 0.5h; | A 65% B 19% |
2-naphthyl pivalate
A
2,5-dimethoxybenzaldehyde
B
5-methoxy-2-(naphthalen-2-yl)benzaldehyde
Conditions | Yield |
---|---|
Stage #1: 2-naphthyl pivalate; C12H17NO2 With chromium dichloride; magnesium; 4,4'-di-tert-butyl-2,2'-bipyridine In tetrahydrofuran at 40℃; for 48h; Stage #2: With hydrogenchloride; water In tetrahydrofuran at 20℃; for 0.5h; | A 28% B 61% |
2-naphthyl pivalate
A
2,5-dimethoxybenzaldehyde
B
5-methoxy-2-(naphthalen-2-yl)benzaldehyde
Conditions | Yield |
---|---|
Stage #1: 2-naphthyl pivalate; C28H25NO2 With chromium dichloride; magnesium; 4,4'-di-tert-butyl-2,2'-bipyridine In tetrahydrofuran at 40℃; for 48h; Stage #2: With hydrogenchloride; water In tetrahydrofuran at 20℃; for 0.5h; | A 27% B 56% |
2,5-dimethoxybenzaldehyde
Conditions | Yield |
---|---|
Stage #1: Benzyl-[1-(2,5-dimethoxy-phenyl)-meth-(E)-ylidene]-amine With chromium dichloride; 2-naphthyl pivalate; magnesium; 4,4'-di-tert-butyl-2,2'-bipyridine In tetrahydrofuran at 40℃; for 48h; Stage #2: With hydrogenchloride; water In tetrahydrofuran at 20℃; for 0.5h; | 56% |
1-(2,5-Dimethoxy-phenyl)-2-phenyl-ethanol
A
Benzyl acetate
B
2,5-dimethoxybenzaldehyde
Conditions | Yield |
---|---|
With lead(IV) acetate In benzene Heating; | A n/a B 55% |
A
2,5-dimethoxybenzaldehyde
B
(+/-)-4-(2',5'-dimethoxyphenyl)-3-hydroxy-3-methylbutanal
Conditions | Yield |
---|---|
With dipyridinium dichromate; 3 A molecular sieve; acetic acid In dichloromethane at 20℃; for 1.5h; Oxidation; | A 16% B 37% |
1,4-dimethoxybezene
formic acid ethyl ester
A
ethyl 2,5-dimethoxy benzoate
B
2,5-dimethoxybenzaldehyde
Conditions | Yield |
---|---|
Stage #1: 1,4-dimethoxybezene With n-butyllithium In tetrahydrofuran; hexane at 0℃; for 2h; Stage #2: formic acid ethyl ester In tetrahydrofuran; hexane at -78℃; for 3h; Stage #3: With ethanol; iodine; potassium carbonate In tetrahydrofuran; hexane at -78 - 20℃; for 14h; | A 7% B 32% |
Conditions | Yield |
---|---|
With manganese(IV) oxide In dichloromethane at 21℃; for 5h; other reagent PDC; | A 23% B 30% |
acetic anhydride
2,5-dimethoxybenzaldehyde
1,1-diacetoxy-1-(2,5-dimethoxyphenyl)methane
Conditions | Yield |
---|---|
With titanium tetrachloride at 20℃; for 15h; screw-capped vial; Inert atmosphere; neat (no solvent); | 100% |
With copper(II) sulfate | 96% |
With lithium trifluoromethanesulfonate at 20℃; for 36h; | 90% |
2,5-dimethoxybenzaldehyde
acetone
trans-1-(2,5-dimethoxyphenyl)-2-buten-3-one
Conditions | Yield |
---|---|
With sodium hydroxide at 23℃; for 6.5h; | 100% |
Stage #1: 2,5-dimethoxybenzaldehyde; acetone With L-proline In dimethyl sulfoxide at 20℃; for 48h; Stage #2: With hydrogenchloride In water; dimethyl sulfoxide for 3h; | 62.5% |
With sodium hydroxide at 20℃; for 0.5h; | 53% |
Conditions | Yield |
---|---|
In methanol for 5h; Heating; | 100% |
ethylene glycol
2,5-dimethoxybenzaldehyde
2-(2',5'-dimethoxyphenyl)-1,3-dioxolane
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In benzene Heating; | 100% |
With toluene-4-sulfonic acid In benzene Heating; | 97% |
With toluene-4-sulfonic acid In benzene for 4h; Heating; | 83% |
2,5-dimethoxybenzaldehyde
methylamine
[1-(2,5-Dimethoxy-phenyl)-meth-(Z)-ylidene]-methyl-amine
Conditions | Yield |
---|---|
at 20℃; for 12h; | 100% |
In ethanol at 0 - 40℃; | 90% |
In methanol; water for 2h; |
2,5-dimethoxybenzaldehyde
2,2-dimethoxyethylamine
acetaldehyde dimethyl acetal
Conditions | Yield |
---|---|
In toluene Heating; | 100% |
In toluene for 4h; Heating; | 100% |
With magnesium sulfate In chloroform at 20℃; for 24h; | 100% |
With magnesium sulfate In chloroform at 20℃; for 24h; | 100% |
In toluene for 4h; Reflux; Dean-Stark; |
diethoxyphosphoryl-acetic acid ethyl ester
2,5-dimethoxybenzaldehyde
(2E)-ethyl 3-(2,5-dimethoxyphenyl)propenoate
Conditions | Yield |
---|---|
Stage #1: diethoxyphosphoryl-acetic acid ethyl ester With sodium hydride In tetrahydrofuran at 20℃; for 0.5h; Stage #2: 2,5-dimethoxybenzaldehyde In tetrahydrofuran at 20℃; for 6h; Horner-Wadsworth-Emmons reaction; | 100% |
Stage #1: diethoxyphosphoryl-acetic acid ethyl ester With sodium hydride In tetrahydrofuran; mineral oil at 23℃; Inert atmosphere; Cooling with ice; Stage #2: 2,5-dimethoxybenzaldehyde In tetrahydrofuran; mineral oil at 0 - 23℃; for 0.5h; Inert atmosphere; | 94% |
thiosemicarbazide
2,5-dimethoxybenzaldehyde
2,5-dimethoxybenzaldehyde thiosemicarbazone
Conditions | Yield |
---|---|
In neat (no solvent) for 0.25h; Milling; Green chemistry; | 100% |
With acetic acid In ethanol for 24h; Reflux; | 82% |
With sodium acetate In ethanol; water at 20℃; for 0.25h; | |
In ethanol Reflux; |
2-acetyl benzo[b]thiophene
2,5-dimethoxybenzaldehyde
Conditions | Yield |
---|---|
With pyrrolidine; acetic acid In tetrahydrofuran for 13h; Aldol Condensation; Reflux; Inert atmosphere; | 100% |
1H-indene-1,3(2H)-dione
2,5-dimethoxybenzaldehyde
2-(2,5-dimethoxybenzylidene)-1H-indene-1,3(2H)-dione
Conditions | Yield |
---|---|
With hydrogenchloride; acetic acid In ethanol; water at 50 - 60℃; Reagent/catalyst; Solvent; | 99% |
Stage #1: 1H-indene-1,3(2H)-dione With pyridine Stage #2: 2,5-dimethoxybenzaldehyde at 100℃; for 1h; | 75% |
With ethanol |
Conditions | Yield |
---|---|
Stage #1: 2,5-dimethoxybenzaldehyde With pyridine at 20℃; for 0.166667h; Inert atmosphere; Stage #2: malonic acid With piperidine for 5h; Reflux; Inert atmosphere; | 99% |
With piperidine; pyridine at 110℃; | 88% |
With piperazine for 0.075h; Knoevenagel condensation; microwave irradiation; | 86% |
2,5-dimethoxybenzaldehyde
malononitrile
2,5-dimethoxy-1-(2',2'-dicyanovinyl)benzene
Conditions | Yield |
---|---|
With polystyrene-supported DABCO In methanol at 25℃; for 0.166667h; Knoevenagel Condensation; Green chemistry; | 99% |
With Zn(II), 1,3,5-benzene tricarboxylic acid and 4,4'-bipyridine based metal organic framework In methanol at 60℃; for 4h; Catalytic behavior; Temperature; Knoevenagel Condensation; | 92% |
With calcium ferrite In methanol for 0.666667h; Knoevenagel Condensation; Reflux; Green chemistry; | 85% |
2,5-dimethoxybenzaldehyde
2,5-dimethoxybenzyl alcohol
Conditions | Yield |
---|---|
With sodium tetrahydroborate In methanol at 0 - 20℃; | 99% |
With sodium tetrahydroborate In diethyl ether; water at 20℃; for 1h; | 99% |
With lithium aluminium tetrahydride In tetrahydrofuran at 0℃; for 0.333333h; | 99% |
trimethylsilyl cyanide
2,5-dimethoxybenzaldehyde
2-(2,5-dimethoxyphenyl)-2-trimethylsilyloxyacetonitrile
Conditions | Yield |
---|---|
With C29H38AlN4O2(1+)*CF3O3S(1-) at 20℃; for 0.333333h; Catalytic behavior; Inert atmosphere; Schlenk technique; | 99% |
With zinc(II) iodide for 1h; Ambient temperature; | 90% |
With [(3-isopropyl-1-(1R-phenylethyl)imidazol-2-ylidene)CpFe(CO)2]I In neat (no solvent) at 27℃; for 6h; Glovebox; Schlenk technique; UV-irradiation; | 87% |
2,5-dimethoxybenzaldehyde
2,5-dimethoxyphenol
Conditions | Yield |
---|---|
With bis(2-phenyltrifluoromethanesulfonate)diselenide; dihydrogen peroxide In dichloromethane at 20℃; for 3h; | 99% |
Stage #1: 2,5-dimethoxybenzaldehyde With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 0 - 20℃; for 16h; Inert atmosphere; Stage #2: With methanol; sodium hydroxide at 20℃; for 3h; Inert atmosphere; | 98% |
With Monoperoxyphthalic acid, magnesium salt In methanol at 20℃; for 18h; Reduction; | 94% |
Conditions | Yield |
---|---|
With oxygen; copper; ammonium chloride In pyridine at 60℃; for 24h; | 99% |
Stage #1: 2,5-dimethoxybenzaldehyde With pyridine; 1,1,1,3,3,3-hexamethyl-disilazane In dichloromethane at 26℃; for 0.0833333h; Stage #2: With 4-acetylamino-2,2,6,6-tetramethylpiperidine-1-oxoammonium tetrafluoroborate In dichloromethane at 26℃; for 18h; | 88% |
With Nitroethane; ammonium acetate In acetic acid for 10h; Heating; |
nitromethane
2,5-dimethoxybenzaldehyde
1-(2,5-dimethoxyphenyl)-2-nitroethanol
Conditions | Yield |
---|---|
With C12H24KO6*HO(1-) In methanol at 20℃; for 0.416667h; Henry reaction; | 99% |
With sodium hydroxide In ethanol; water at 10 - 15℃; for 0.5h; Temperature; Solvent; Reagent/catalyst; | 96% |
With {(C6H3C(CH3)3OCHNCH2CH2NCHO(CH3)3CC6H3)Co}; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 48h; Reagent/catalyst; Henry Nitro Aldol Condensation; | 70% |
1,2-bis(trimethylsiloxy)cyclobutene
2,5-dimethoxybenzaldehyde
Conditions | Yield |
---|---|
With 2-Trifluoromethylbenzaldehyde; magnesium iodide In dichloromethane; benzene at 20℃; for 0.25h; Mukaiyama aldol coupling; | 99% |
With 4-O2NPhOMgI In dichloromethane at 20℃; Mukaiyama aldol reaction; Inert atmosphere; | 93% |
N-(4-aminophenyl)-N'-phenylurea
2,5-dimethoxybenzaldehyde
1-[4-(2,5-dimethoxy-benzylamino)phenyl]-3-phenylurea
Conditions | Yield |
---|---|
With sodium cyanoborohydride In methanol Reflux; Inert atmosphere; | 99% |
carbon tetrabromide
2,5-dimethoxybenzaldehyde
2-(2,2-dibromoethenyl)-1,4-dimethoxybenzene
Conditions | Yield |
---|---|
Stage #1: carbon tetrabromide With triphenylphosphine In dichloromethane at 0℃; for 0.666667h; Inert atmosphere; Stage #2: 2,5-dimethoxybenzaldehyde In dichloromethane at 0℃; Inert atmosphere; | 99% |
Stage #1: carbon tetrabromide With triphenylphosphine In dichloromethane at 0℃; for 0.666667h; Inert atmosphere; Stage #2: 2,5-dimethoxybenzaldehyde In dichloromethane at 0℃; for 0.333333h; Inert atmosphere; | 99% |
With triphenylphosphine In dichloromethane at 0℃; for 1.25h; Inert atmosphere; |
2,5-dimethoxybenzaldehyde
3-phenyliodonio-1,2,4-trioxo-1,2,3,4-tetrahydronaphthalenide
2-(2,5-dimethoxyphenyl)-3-hydroxynaphthalene-1,4-dione
Conditions | Yield |
---|---|
With boron trifluoride diethyl etherate In chloroform for 1h; Reflux; | 99% |
2,5-dimethoxybenzaldehyde
methyl 2-naphthyl ketone
(2E)-1-(2-naphthyl)-3-(2,5-dimethoxyphenyl)-2-propen-1-one
Conditions | Yield |
---|---|
With potassium hydroxide In methanol; water at 20℃; for 24h; Aldol condensation; | 99% |
With sodium hydroxide In methanol; water at 20℃; for 15h; Claisen-Schmidt Condensation; | 73% |
Nitroethane
2,5-dimethoxybenzaldehyde
(1S,2R)-1-(2,5-dimethoxyphenyl)-2-nitropropan-1-ol
Conditions | Yield |
---|---|
With 1-ethyl-piperidine; 3,5-bistrifluoromethylbenzoic acid; bis((3,5-bis(trifluoromethyl)phenyl)ureido)-(salen)cobalt In tert-butyl methyl ether at -50℃; for 16h; Henry reaction; optical yield given as %ee; diastereoselective reaction; | 99% |
Nitroethane
2,5-dimethoxybenzaldehyde
(1R,2S)-1-(2,5-dimethoxyphenyl)-2-nitropropan-1-ol
Conditions | Yield |
---|---|
With 1-ethyl-piperidine; 3,5-bistrifluoromethylbenzoic acid; bis((3,5-bis(trifluoromethyl)phenyl)ureido)-(salen)cobalt In tert-butyl methyl ether at -50℃; for 16h; Henry reaction; optical yield given as %ee; diastereoselective reaction; | 99% |
Conditions | Yield |
---|---|
With (2S,5R)-2-(methylaminomethyl)-1-methyl-5-phenylpyrrolidine; triethylamine; copper(ll) bromide In tetrahydrofuran at -25℃; for 39h; Henry Nitro Aldol Condensation; Inert atmosphere; Schlenk technique; enantioselective reaction; | 99% |
The 2,5-Dimethoxybenzaldehyde, with the CAS registry number 93-02-7 and EINECS registry number 202-211-5, is a kind of yellow crystalline solid. It is sensitive to air, and belongs to the following product categories: Fine chemical & Intermediates; Building blocks; Benzaldehyde; Adehydes, Acetals & Ketones; Anisoles, Alkyloxy Compounds & Phenylacetates; Aldehydes; C9; Carbonyl Compounds. And the molecular formula of this chemical is C9H10O3.
The physical properties of 2,5-Dimethoxybenzaldehyde are as following: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.856; (4)ACD/LogD (pH 7.4): 1.856; (5)ACD/BCF (pH 5.5): 15.161; (6)ACD/BCF (pH 7.4): 15.161; (7)ACD/KOC (pH 5.5): 243.662; (8)ACD/KOC (pH 7.4): 243.662; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 46.363 cm3; (15)Molar Volume: 149.104 cm3; (16)Polarizability: 18.38×10-24cm3; (17)Surface Tension: 36.175 dyne/cm; (18)Density: 1.114 g/cm3; (19)Flash Point: 120.644 °C; (20)Enthalpy of Vaporization: 52.279 kJ/mol; (21)Boiling Point: 283.842 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.
Preparation of 2,5-Dimethoxybenzaldehyde: It is often synthesized from 2-methyl-4-methoxyphenol by clandestine chemists. One of its uses is the production of 2,5-dimethoxyphenethylamine also known as 2C-H. 2C-H is used to produce many other psychoactive drugs, such as 2C-B, 2C-I and 2C-C. And it is usually used as organic intermediate.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and may cause sensitization by skin contact. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(c(c1)C=O)OC
(2)InChI: InChI=1/C9H10O3/c1-11-8-3-4-9(12-2)7(5-8)6-10/h3-6H,1-2H3
(3)InChIKey: AFUKNJHPZAVHGQ-UHFFFAOYAN
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 1600mg/kg (1600mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: TREMOR BEHAVIORAL: MUSCLE WEAKNESS | National Technical Information Service. Vol. OTS0533614, |
mouse | LD50 | oral | 1600mg/kg (1600mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: EXCITEMENT BEHAVIORAL: MUSCLE WEAKNESS | National Technical Information Service. Vol. OTS0533614, |
rat | LD50 | intraperitoneal | 800mg/kg (800mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: DYSPNEA | National Technical Information Service. Vol. OTS0533614, |
rat | LD50 | oral | > 3200mg/kg (3200mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION SKIN AND APPENDAGES (SKIN): HAIR: OTHER | National Technical Information Service. Vol. OTS0533614, |
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