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4408-60-0

4408-60-0 Structure

4408-60-0 Structure
IdentificationMore
[Name]

MESITYLACETIC ACID
[CAS]

4408-60-0
[Synonyms]

2,4,6-TMPAC
2,4,6-TRIMETHYLBENZENEACETIC ACID
2,4,6-TRIMETHYLPHENYLACETIC ACID
2-MESITYLACETIC ACID
BENZENEACETIC ACID, 2,4,6-TRIMETHYL-
MESITYLACETIC ACID
MESITYLENEACETIC ACID
RARECHEM AL BO 0305
VITAS-BB TBB000369
2-Mesityleneacetic acid
2,4,6-Trimethyl Phenylacetic Acid Mesityl Acetic Acid
Mesitylaceticacid,98+%
2,4,6-Trimethulphenylacetic acid
Mesity acetic Acid
[EINECS(EC#)]

224-556-0
[Molecular Formula]

C11H14O2
[MDL Number]

MFCD00014368
[Molecular Weight]

178.23
[MOL File]

4408-60-0.mol
Chemical PropertiesBack Directory
[Melting point ]

167-171 °C(lit.)
[Boiling point ]

270.46°C (rough estimate)
[density ]

1.0292 (rough estimate)
[refractive index ]

1.5090 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder to crystal
[pka]

4.40±0.10(Predicted)
[color ]

White to Light yellow to Light orange
[BRN ]

2209880
[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)
[InChIKey]

CQWMQAKKAHTCSC-UHFFFAOYSA-N
[SMILES]

Cc1cc(C)c(CC(O)=O)c(C)c1
[CAS DataBase Reference]

4408-60-0(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HS Code ]

29163990
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Sodium hydroxide-->Hydrochloric acid-->Sulfuric acid-->Toluene-->Sodium chloride-->Formaldehyde-->Sodium cyanide-->Calcium chloride-->Mesitylene
[Preparation Products]

2-Mesitylacetyl chloride-->4-Hydroxy-3-mesityl-1-oxaspiro(4.4)non-3-en-2-one
Hazard InformationBack Directory
[Chemical Properties]

White to tan solid
[Uses]

Mesitylacetic acid may be used to synthesize 2,4,6-trimethvlbenzyl mesitylacetate.
[General Description]

α2-Chloroisodurene and mesitylacetonitrile are formed as intermediates during the synthesis of mesitylacetic acid. Mesitylacetic acid can be synthesized from mesitylene.
Spectrum DetailBack Directory
[Spectrum Detail]

MESITYLACETIC ACID(4408-60-0)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Mesitylacetic acid, 98+%(4408-60-0)
[Sigma Aldrich]

4408-60-0(sigmaaldrich)
[TCI AMERICA]

Mesityleneacetic Acid,>98.0%(T)(4408-60-0)
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