(2,4,6-Trimethylphenyl)acetic acid supplier

Name
MESITYLACETIC ACID
EINECS 224-556-0
CAS No. 4408-60-0
Article Data41
CAS DataBase
Density 1.076 g/cm³
Solubility
Melting Point 167-171 °C(lit.)
Formula C₁₁H₁₄O₂
Boiling Point 312.886 °C at 760 mmHg
Molecular Weight 178.231
Flash Point 209.967 °C
Transport Information
Appearance
Safety 22-24/25
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Aceticacid, mesityl- (6CI,8CI);2,4,6-Trimethyl-a-toluic acid;2,4,6-Trimethylphenylacetic acid;Mesitylacetic acid;NSC 11348;2-Mesitylacetic acid;
PSA 37.30000
LogP 2.23890

Synthetic route

: 769-26-6
2-ethynyl-1,3,5-trimethylbenzene

: 4408-60-0
2-mesitylacetic acid

Conditions

Conditions	Yield
Stage #1: 2-ethynyl-1,3,5-trimethylbenzene With 1-methyl-pyrrolidin-2-one; C17H11ClF6N2Ru(1+) In water at 25℃; for 24h; Inert atmosphere; Stage #2: With [bis(acetoxy)iodo]benzene at 25℃; for 1h;	91%

: 201230-82-2
carbon monoxide

: 1585-16-6
2-chloromethyl-1,3,5-trimethylbenzene

: 4408-60-0
2-mesitylacetic acid

Conditions

Conditions	Yield
Stage #1: carbon monoxide With C28H22CoN4O6 In butan-1-ol at 60℃; under 760.051 Torr; for 2h; Glovebox; High pressure; Green chemistry; Stage #2: 2-chloromethyl-1,3,5-trimethylbenzene With tetra-(n-butyl)ammonium iodide; sodium hydroxide In butan-1-ol at 60℃; under 760.051 Torr; for 22h; Glovebox; High pressure; Green chemistry; regioselective reaction;	82%

: 1255911-42-2
C13H15Cl3O2

A: 1255911-53-5
2,4,6-trimethylphenylacetic acid 2-deuterio-2,2-dichloroethyl ester

B: 4408-60-0
2-mesitylacetic acid

Conditions

Conditions	Yield
With indium; deuterated ammonium chloride In tetrahydrofuran-d8; water-d2 at 20℃; for 40h; Reflux; chemoselective reaction;	A 14% B 76%

: 77295-61-5
(2,2-dibromoethenyl)-2,4,6-trimethylbenzene

: 4408-60-0
2-mesitylacetic acid

Conditions

Conditions	Yield
Stage #1: 1,1-Dibrom-2-(2,4,6-trimethylphenyl)ethylen With n-butyllithium In tetrahydrofuran at 0℃; for 1.5h; Stage #2: With 2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane In tetrahydrofuran for 2h;	75%

: 124-38-9
carbon dioxide

: 1585-16-6
2-chloromethyl-1,3,5-trimethylbenzene

: 4408-60-0
2-mesitylacetic acid

Conditions

Conditions	Yield
With (1,2-dimethoxyethane)dichloronickel(II); C15H27P(x)BF4H(1+); magnesium chloride; zinc In N,N-dimethyl-formamide at 20℃; under 760.051 Torr; Schlenk technique;	49%
With samarium; chloro-trimethyl-silane; tetra-(n-butyl)ammonium iodide In acetonitrile at 20℃; under 760.051 Torr; for 2h; Electrochemical reaction; Cooling with ice;	48%

: 201230-82-2
carbon monoxide

: 1585-16-6
2-chloromethyl-1,3,5-trimethylbenzene

A: 4408-60-0
2-mesitylacetic acid

B: 4276-82-8
Mesitylessigsaeure-(2,4,6-trimethyl-benzylester)

C: 1,3-dimesitylpropanon-1

Conditions

Conditions	Yield
iron pentacarbonyl; tetrabutylammonium sulfate In sodium hydroxide; toluene at 60℃; under 45600 Torr; for 26h;	A 37% B 11% C 5%

...Expand

: 50690-12-5
2-chloro-1-(2,4,6-trimethyl-phenyl)-ethanone

A: 6682-69-5
5,7-dimethylindan-1-one

B: 1667-01-2
2,4,6-Trimethylacetophenone

C: 4408-60-0
2-mesitylacetic acid

Conditions

Conditions	Yield
With methyloxirane In water; acetonitrile for 6h; Irradiation;	A 25% B 22% C 32%

...Expand

: 138100-85-3
ethyl α-(phenylseleno) mesityl acetate

: 4408-60-0
2-mesitylacetic acid

Conditions

Conditions	Yield
With sodium hydroxide; sodium tetrahydroborate; dithienylditelluride In ethanol for 0.0833333h; Ambient temperature;	12%

: 34688-71-6
mesitylacetonitrile

: 4408-60-0
2-mesitylacetic acid

Conditions

Conditions	Yield
With sulfuric acid Erhitzen auf Siedetemperatur;
With potassium hydroxide; ethylene glycol at 155℃;
With potassium hydroxide; ethylene glycol

: 1667-01-2
2,4,6-Trimethylacetophenone

: 4408-60-0
2-mesitylacetic acid

Conditions

Conditions	Yield
With yellow ammonium sulfide at 200 - 220℃; im Druckrohr; Behandeln mit Kali;
Multi-step reaction with 2 steps 1: diluted alkaline potassium permanganate / 0 °C 2: hydriodic acid; red phosphorus / 160 °C View Scheme

: 20797-56-2
2,4,6-trimethylmandelic acid

A: 480-63-7
mesitylenecarboxylic acid

B: 4408-60-0
2-mesitylacetic acid

Conditions

Conditions	Yield
bei der trocknen Destillation;
bei der Destillation;

: 20797-56-2
2,4,6-trimethylmandelic acid

: 4408-60-0
2-mesitylacetic acid

Conditions

Conditions	Yield
With phosphorus; iodine; acetic acid

: 3112-46-7
mesitylglyoxylic acid

: 4408-60-0
2-mesitylacetic acid

Conditions

Conditions	Yield
With hydrogenchloride; amalgamated zinc
With phosphorus; hydrogen iodide at 160℃;
With potassium hydroxide; hydrazine hydrate
(i) N2H4*H2O, KOH, triethylene glycol, (ii) (pyrolysis); Multistep reaction;

: 59146-33-7
2-mesityl-acetoacetonitrile

: 4408-60-0
2-mesitylacetic acid

Conditions

Conditions	Yield
With potassium hydroxide In ethylene glycol

: 769-26-6
2-ethynyl-1,3,5-trimethylbenzene

: 4408-60-0
2-mesitylacetic acid

Conditions

Conditions	Yield
Stage #1: 2-ethynyl-1,3,5-trimethylbenzene With 1-methyl-pyrrolidin-2-one; C17H11ClF6N2Ru(1+) In water at 25℃; for 24h; Inert atmosphere; Stage #2: With [bis(acetoxy)iodo]benzene at 25℃; for 1h;	91%

: 201230-82-2
carbon monoxide

: 1585-16-6
2-chloromethyl-1,3,5-trimethylbenzene

: 4408-60-0
2-mesitylacetic acid

Conditions

Conditions	Yield
Stage #1: carbon monoxide With C28H22CoN4O6 In butan-1-ol at 60℃; under 760.051 Torr; for 2h; Glovebox; High pressure; Green chemistry; Stage #2: 2-chloromethyl-1,3,5-trimethylbenzene With tetra-(n-butyl)ammonium iodide; sodium hydroxide In butan-1-ol at 60℃; under 760.051 Torr; for 22h; Glovebox; High pressure; Green chemistry; regioselective reaction;	82%

: 1255911-42-2
C13H15Cl3O2

A: 1255911-53-5
2,4,6-trimethylphenylacetic acid 2-deuterio-2,2-dichloroethyl ester

B: 4408-60-0
2-mesitylacetic acid

Conditions

Conditions	Yield
With indium; deuterated ammonium chloride In tetrahydrofuran-d8; water-d2 at 20℃; for 40h; Reflux; chemoselective reaction;	A 14% B 76%

: 77295-61-5
(2,2-dibromoethenyl)-2,4,6-trimethylbenzene

: 4408-60-0
2-mesitylacetic acid

Conditions

Conditions	Yield
Stage #1: 1,1-Dibrom-2-(2,4,6-trimethylphenyl)ethylen With n-butyllithium In tetrahydrofuran at 0℃; for 1.5h; Stage #2: With 2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane In tetrahydrofuran for 2h;	75%

: 124-38-9
carbon dioxide

: 1585-16-6
2-chloromethyl-1,3,5-trimethylbenzene

: 4408-60-0
2-mesitylacetic acid

Conditions

Conditions	Yield
With (1,2-dimethoxyethane)dichloronickel(II); C15H27P(x)BF4H(1+); magnesium chloride; zinc In N,N-dimethyl-formamide at 20℃; under 760.051 Torr; Schlenk technique;	49%
With samarium; chloro-trimethyl-silane; tetra-(n-butyl)ammonium iodide In acetonitrile at 20℃; under 760.051 Torr; for 2h; Electrochemical reaction; Cooling with ice;	48%

: 201230-82-2
carbon monoxide

: 1585-16-6
2-chloromethyl-1,3,5-trimethylbenzene

A: 4408-60-0
2-mesitylacetic acid

B: 4276-82-8
Mesitylessigsaeure-(2,4,6-trimethyl-benzylester)

C: 1,3-dimesitylpropanon-1

Conditions

Conditions	Yield
iron pentacarbonyl; tetrabutylammonium sulfate In sodium hydroxide; toluene at 60℃; under 45600 Torr; for 26h;	A 37% B 11% C 5%

...Expand

: 50690-12-5
2-chloro-1-(2,4,6-trimethyl-phenyl)-ethanone

A: 6682-69-5
5,7-dimethylindan-1-one

B: 1667-01-2
2,4,6-Trimethylacetophenone

C: 4408-60-0
2-mesitylacetic acid

Conditions

Conditions	Yield
With methyloxirane In water; acetonitrile for 6h; Irradiation;	A 25% B 22% C 32%

...Expand

: 138100-85-3
ethyl α-(phenylseleno) mesityl acetate

: 4408-60-0
2-mesitylacetic acid

Conditions

Conditions	Yield
With sodium hydroxide; sodium tetrahydroborate; dithienylditelluride In ethanol for 0.0833333h; Ambient temperature;	12%

: 34688-71-6
mesitylacetonitrile

: 4408-60-0
2-mesitylacetic acid

Conditions

Conditions	Yield
With sulfuric acid Erhitzen auf Siedetemperatur;
With potassium hydroxide; ethylene glycol at 155℃;
With potassium hydroxide; ethylene glycol

: 1667-01-2
2,4,6-Trimethylacetophenone

: 4408-60-0
2-mesitylacetic acid

Conditions

Conditions	Yield
With yellow ammonium sulfide at 200 - 220℃; im Druckrohr; Behandeln mit Kali;
Multi-step reaction with 2 steps 1: diluted alkaline potassium permanganate / 0 °C 2: hydriodic acid; red phosphorus / 160 °C View Scheme

: 20797-56-2
2,4,6-trimethylmandelic acid

A: 480-63-7
mesitylenecarboxylic acid

B: 4408-60-0
2-mesitylacetic acid

Conditions

Conditions	Yield
bei der trocknen Destillation;
bei der Destillation;

: 20797-56-2
2,4,6-trimethylmandelic acid

: 4408-60-0
2-mesitylacetic acid

Conditions

Conditions	Yield
With phosphorus; iodine; acetic acid

: 3112-46-7
mesitylglyoxylic acid

: 4408-60-0
2-mesitylacetic acid

Conditions

Conditions	Yield
With hydrogenchloride; amalgamated zinc
With phosphorus; hydrogen iodide at 160℃;
With potassium hydroxide; hydrazine hydrate
(i) N2H4*H2O, KOH, triethylene glycol, (ii) (pyrolysis); Multistep reaction;

: 59146-33-7
2-mesityl-acetoacetonitrile

: 4408-60-0
2-mesitylacetic acid

Conditions

Conditions	Yield
With potassium hydroxide In ethylene glycol

: mesitylketene

: 4408-60-0
2-mesitylacetic acid

Conditions

Conditions	Yield
With sodium perchlorate; water at 25℃; Rate constant; Mechanism; also in D2O; isotope effect; also in the presence of HClO4 and NaOH; ionic strength 0.10 M;
With sodium perchlorate; water at 25℃; Kinetics;

: 60-29-7
diethyl ether

: 1585-16-6
2-chloromethyl-1,3,5-trimethylbenzene

magnesium: magnesium

A: 4674-23-1
1,2-dimesitylethane

B: 4408-60-0
2-mesitylacetic acid

Conditions

Conditions	Yield
anschliessend Behandeln mit festem Kohlendioxid;

...Expand

2.4.6-trimethyl-cycloheptatriene-(x.x.x)-carboxylic acid-(1)-ethyl ester: 2.4.6-trimethyl-cycloheptatriene-(x.x.x)-carboxylic acid-(1)-ethyl ester

: 4408-60-0
2-mesitylacetic acid

Conditions

Conditions	Yield
at 200℃; im Rohr; Verseifen des erhaltenen Esters mit alkoh. Kalilauge;

2.4.6-trimethyl-cycloheptatriene-(x.x.x)-carboxylic acid-(1): 2.4.6-trimethyl-cycloheptatriene-(x.x.x)-carboxylic acid-(1)

: 4408-60-0
2-mesitylacetic acid

Conditions

Conditions	Yield
With hydrogen bromide; acetic acid at 20℃;

2,4,6-trimethyl-benzyl magnesium chloride: 2,4,6-trimethyl-benzyl magnesium chloride

A: 4674-23-1
1,2-dimesitylethane

B: 4408-60-0
2-mesitylacetic acid

Conditions

Conditions	Yield
With carbon dioxide

: 1667-01-2
2,4,6-Trimethylacetophenone

A: 4408-60-0
2-mesitylacetic acid

B 2.4.6-trimethyl-phenylacetic acid amid, ethylmesitylene: 2.4.6-trimethyl-phenylacetic acid amid, ethylmesitylene

Conditions

Conditions	Yield
With ammonium sulfide unter Druck;

: 1667-01-2
2,4,6-Trimethylacetophenone

yellow ammonium sulfide: yellow ammonium sulfide

A: 4408-60-0
2-mesitylacetic acid

B 2.4.6-trimethyl-phenylacetic acid amide: 2.4.6-trimethyl-phenylacetic acid amide

Conditions

Conditions	Yield
at 260 - 280℃; im Druckrohr;

...Expand

: 1667-01-2
2,4,6-Trimethylacetophenone

colorless ammonium sulfide: colorless ammonium sulfide

A: 3982-67-0
ethylmesitylene

B: 4408-60-0
2-mesitylacetic acid

C 2.4.6-trimethyl-phenylacetic acid amide: 2.4.6-trimethyl-phenylacetic acid amide

Conditions

Conditions	Yield
im Autoklaven;

...Expand

: 7647-01-0
hydrogenchloride

: 3112-46-7
mesitylglyoxylic acid

amalgamated zinc: amalgamated zinc

: 4408-60-0
2-mesitylacetic acid

...Expand

: 3112-46-7
mesitylglyoxylic acid

: 10034-85-2
hydrogen iodide

red phosphorus: red phosphorus

: 4408-60-0
2-mesitylacetic acid

Conditions

Conditions	Yield
at 160℃;

...Expand

: 67-56-1
methanol

: 98471-39-7
3-mesityl-1-phenyl-propane-1,2-dione

: 7722-84-1
dihydrogen peroxide

aqueous NaOH: aqueous NaOH

A: 4408-60-0
2-mesitylacetic acid

B: 65-85-0
benzoic acid

...Expand

: 1,4-dimesityl-butane-1,3-dione

: 10028-15-6
ozone

A: 480-63-7
mesitylenecarboxylic acid

B: 4408-60-0
2-mesitylacetic acid

...Expand

: 41841-19-4
methyl 2-mesitylacetate

: 4408-60-0
2-mesitylacetic acid

Conditions

Conditions	Yield
With sodium hydroxide

: 2-((E)-3-Chloro-allyl)-1,3,5-trimethyl-benzene

: 4408-60-0
2-mesitylacetic acid

Conditions

Conditions	Yield
Stage #1: 2-((E)-3-Chloro-allyl)-1,3,5-trimethyl-benzene With ozone In methanol Stage #2: With dihydrogen peroxide; acetic acid In methanol

: 6950-92-1
2-(2,4,6-trimethylphenyl)ethanol

A: 480-63-7
mesitylenecarboxylic acid

B: 4408-60-0
2-mesitylacetic acid

Conditions

Conditions	Yield
With potassium hydroxide In tert-butyl alcohol at 50℃; Electrochemical reaction; Title compound not separated from byproducts.;	A 1 % Spectr. B 10 % Spectr.

: 487-68-3
mesytaldehyde

: 4408-60-0
2-mesitylacetic acid

: 75245-29-3
threo-3-Hydroxy-2,3-dimesityl-propionsaeure

: 75245-29-3
erythro-3-Hydroxy-2,3-dimesityl-propionsaeure

Conditions

Conditions	Yield
Multistep reaction;	A 90% B n/a
Yield given. Multistep reaction;

...Expand

: 4408-60-0
2-mesitylacetic acid

: 41248-23-1
hydroxycyclopentanecarboxylic acid ethyl ester

: 148476-30-6
3-(2,4,6-trimethylphenyl)-2-oxo-1-oxaspiro[4,4]indole-3-en-4-ol

Conditions

Conditions	Yield
Stage #1: 2-mesitylacetic acid; hydroxycyclopentanecarboxylic acid ethyl ester With trichlorophosphate In toluene at 20℃; Stage #2: With sodium hydroxide In toluene for 8h; Reflux;	85%

: 64-17-5
ethanol

: 4408-60-0
2-mesitylacetic acid

: 5460-08-2
ethyl 2,4,6-trimethylphenylacetate

Conditions

Conditions	Yield
With sulfuric acid at 80℃; Inert atmosphere; Schlenk technique;	82%
With toluene-4-sulfonic acid
With sulfuric acid Heating;

: 4408-60-0
2-mesitylacetic acid

: 94594-90-8
(2R)-bornane-10,2-sultam

: 1-((3aS,6R,7aR)-8,8-dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)-2-mesitylethanone

Conditions

Conditions	Yield
Stage #1: 2-mesitylacetic acid With pivaloyl chloride; triethylamine In tetrahydrofuran at -78 - 0℃; for 1.08333h; Inert atmosphere; Stage #2: (2R)-bornane-10,2-sultam With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.5h; Inert atmosphere;	80%

: 4408-60-0
2-mesitylacetic acid

: 87-66-1
2-hydroxyresorcinol

: 1145835-83-1
2',3',4'-trihydroxy-2-(2,4,6-trimethylphenyl)acetophenone

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate at 120℃; for 0.166667h;	73%

: 1111685-24-5
ethyl 8-hydroxy-1-oxaspiro[4,5]decane-8-carboxylate

: 4408-60-0
2-mesitylacetic acid

: 1111685-26-7
C23H32O5

Conditions

Conditions	Yield
Stage #1: 2-mesitylacetic acid With thionyl chloride; N,N-dimethyl-formamide In toluene at 90℃; for 1h; Stage #2: ethyl 8-hydroxy-1-oxaspiro[4,5]decane-8-carboxylate In toluene at 90℃; for 8h; Stage #3: With sodium hydroxide In water	72%

: 4408-60-0
2-mesitylacetic acid

: 118-70-7
4,5,6-triaminopyrimidine

: 8-(2,4,6-trimethylbenzyl)-9H-purin-6-amine

Conditions

Conditions	Yield
With pyridine; triphenyl phosphite at 220℃; for 0.5h; Sealed tube; Microwave irradiation;	65%

: 67-56-1
methanol

: 4408-60-0
2-mesitylacetic acid

: 41841-19-4
methyl 2-mesitylacetate

Conditions

Conditions	Yield
With hydrogenchloride In water for 3h; Heating / reflux;	57%
With hydrogenchloride
sulfuric acid Heating;
With thionyl chloride at 0 - 20℃; for 3h;

: 51-17-2
benzoimidazole

: 4408-60-0
2-mesitylacetic acid

: 93330-85-9
(1H-benzo[d]imidazol-1-yl)(mesityl)methanone

Conditions

Conditions	Yield
With pyridine; oxygen; copper(I) bromide In o-xylene at 130℃; under 760.051 Torr; for 24h; Sealed tube; chemoselective reaction;	46%

: 1076690-88-4
N-[4-(4,5-dihydro-1H-pyrazol-3-yl)-phenyl]-methanesulfonamide trifluoroacetate

: 4408-60-0
2-mesitylacetic acid

: 1076690-56-6
N-(4-{1-[2-(2,4,6-trimethyl-phenyl)-acetyl]-4,5-dihydro-1H-pyrazol-3-yl}-phenyl)-methanesulfonamide

Conditions

Conditions	Yield
Stage #1: 2-mesitylacetic acid With oxalyl dichloride; N,N-dimethyl-formamide In tetrahydrofuran at 20℃; for 1.5h; Stage #2: N-[4-(4,5-dihydro-1H-pyrazol-3-yl)-phenyl]-methanesulfonamide trifluoroacetate With caesium carbonate In tetrahydrofuran at 20℃; for 2h;	38%

: 4408-60-0
2-mesitylacetic acid

: 3-isochromanone

Conditions

Conditions	Yield
With copper dichloride; potassium tetrachloroplatinate In water at 150℃; for 24h;	35%

: 60639-52-3
N2-methylbenzene-1,2,3-triamine

: 4408-60-0
2-mesitylacetic acid

: 1036904-51-4
2-(mesitylmethyl)-1-methyl-1H-benzimidazol-7-amine

Conditions

Conditions	Yield
Stage #1: 2-mesitylacetic acid With 1,1'-carbonyldiimidazole In tetrahydrofuran at 20 - 50℃; for 1h; Stage #2: N2-methylbenzene-1,2,3-triamine In tetrahydrofuran for 18h; Heating / reflux;	24%

: 60639-52-3
N2-methylbenzene-1,2,3-triamine

: 4408-60-0
2-mesitylacetic acid

: 1036904-59-2
2-mesityl-N-[2-(mesitylmethyl)-1-methyl-1H-benzimidazol-7-yl]acetamide

Conditions

Conditions	Yield
Stage #1: 2-mesitylacetic acid With 1,1'-carbonyldiimidazole In tetrahydrofuran at 50℃; for 1h; Stage #2: N2-methylbenzene-1,2,3-triamine In tetrahydrofuran at 50℃; for 3h; Heating / reflux; Stage #3: 2-mesitylacetic acid With 1,1'-carbonyldiimidazole In tetrahydrofuran for 2h; Heating / reflux;	22%

: 4408-60-0
2-mesitylacetic acid

: 6950-92-1
2-(2,4,6-trimethylphenyl)ethanol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride
Multi-step reaction with 2 steps 1: thionyl chloride / 3 h / 0 - 20 °C 2: lithium aluminium tetrahydride / tetrahydrofuran / 4.5 h / 0 - 20 °C / Inert atmosphere View Scheme

: 4408-60-0
2-mesitylacetic acid

Conditions

Conditions	Yield
With thionyl chloride
With thionyl chloride
With phosphorus trichloride

: 4408-60-0
2-mesitylacetic acid

: dibromo-(2,4,6-trimethyl-phenyl)-acetic acid

Conditions

Conditions	Yield
With bromine; acetic acid

: 4408-60-0
2-mesitylacetic acid

(2,4,6-trimethyl-3,5-dinitro-phenyl)-acetic acid: (2,4,6-trimethyl-3,5-dinitro-phenyl)-acetic acid

Conditions

Conditions	Yield
With nitric acid

(2,4,6-Trimethylphenyl)acetic acid Specification

The Benzeneacetic acid,2,4,6-trimethyl-, with the CAS registry number 4408-60-0, is also known as 2,4,6-Trimethyl-a-toluic acid. It belongs to the product categories of Fine Chemical & Intermediates; Aromatic Phenylacetic Acids and Derivatives. Its EINECS number is 224-556-0. This chemical's molecular formula is C₁₁H₁₄O₂ and formula weight is 178.23. What's more, its IUPAC name is 2-(2,4,6-trimethylphenyl)acetic acid.

Physical properties of Benzeneacetic acid,2,4,6-trimethyl- are: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.76; (4)ACD/LogD (pH 7.4): -0.04; (5)ACD/BCF (pH 5.5): 6.83; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 65.78; (8)ACD/KOC (pH 7.4): 1.05; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 51.84 cm³; (15)Molar Volume: 165.7 cm³; (16)Surface Tension: 40.7 dyne/cm; (17)Density: 1.075 g/cm³; (18)Flash Point: 210 °C; (19)Enthalpy of Vaporization: 58.48 kJ/mol; (20)Boiling Point: 312.9 °C at 760 mmHg; (21)Vapour Pressure: 0.000219 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-chloro-1-(2,4,6-trimethyl-phenyl)-ethanone by irradiation. This reaction will need reagent propylene oxide and solvent acetonitrile, H₂O with the reaction time of 6 hours. The yield is about 32%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin, so you should avoid contact with skin and eyes. You should not breathe dust.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=C(C(=C1)C)CC(=O)O)C
(2)InChI: InChI=1S/C11H14O2/c1-7-4-8(2)10(6-11(12)13)9(3)5-7/h4-5H,6H2,1-3H3,(H,12,13)
(3)InChIKey: CQWMQAKKAHTCSC-UHFFFAOYSA-N

Product Name

MESITYLACETIC ACID

Synthetic route

(2,4,6-Trimethylphenyl)acetic acid Specification

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