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ChemicalBook--->CAS DataBase List--->619-04-5

619-04-5

619-04-5 Structure

619-04-5 Structure
IdentificationMore
[Name]

3,4-Dimethylbenzoic acid
[CAS]

619-04-5
[Synonyms]

3,4-DIMETHYLBENZOIC ACID
AKOS BBS-00007820
ASYM-O-XYLYLIC ACID
O-XYLENE-4-CARBOXYLIC ACID
RARECHEM AL BO 0330
1-Carboxy-3,4-dimethylbenzene
3,4-dimethyl-benzoicaci
Benzoic acid, 3,4-dimethyl-(7CI,8CI,9CI)
3,4-DIMETHYLBENZOICAICD
Xylylic acid
[EINECS(EC#)]

210-576-7
[Molecular Formula]

C9H10O2
[MDL Number]

MFCD00002524
[Molecular Weight]

150.17
[MOL File]

619-04-5.mol
Chemical PropertiesBack Directory
[Appearance]

white to beige crystalline powder
[Melting point ]

163-165 °C (lit.)
[Boiling point ]

271.51°C (estimate)
[density ]

1.0937 (estimate)
[refractive index ]

1.5188 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Crystalline Powder
[pka]

4.44±0.10(Predicted)
[color ]

White to beige
[Water Solubility ]

129.2mg/L(temperature not stated)
[BRN ]

907267
[CAS DataBase Reference]

619-04-5(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzoic acid, 3,4-dimethyl-(619-04-5)
[EPA Substance Registry System]

619-04-5(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed.
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[RTECS ]

DG8734020
[TSCA ]

Yes
[HS Code ]

29163900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Benzeneacetaldehyde, 3,4-dimethyl-α-oxo--->3,4-Dimethyl-cyclohex-3-enecarboxylic acid-->{3,4-Me2C6H3N2}{BF4}-->2,3-Dimethylbenzoic acid-->2,4-Dimethylbenzoic acid-->3',4'-Dimethylacetophenone-->Formic acid
[Preparation Products]

Vadimezan-->isoindoline-5-carboxylic acid-->METHYL ISOINDOLINE-5-CARBOXYLATE-->Methyl 3,4-dimethylbenzoate-->1,2-Benzenedicarboxylic acid, 4,5-dimethyl--->1(3H)-ISOBENZOFURANONE, 5-FLUORO--->2-Methyl-1,4-benzenedicarboxylic acid
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3,4-Dimethylbenzoic acid(619-04-5).msds
Hazard InformationBack Directory
[Chemical Properties]

white to beige crystalline powder
[Definition]

ChEBI: A dimethylbenzoic acid in which the two methyl groups are located at positions 3 and 4.
[Purification Methods]

Crystallise it from EtOH or H2O (m 168-168.5o), and sublime it in vacuo. The phenyl ester has m 68o (from EtOH or pet ether) and b 155-157o/2mm. [Beilstein 9 II 353, 9 III 2441, 9 IV 1803.]
Spectrum DetailBack Directory
[Spectrum Detail]

3,4-Dimethylbenzoic acid(619-04-5)MS
3,4-Dimethylbenzoic acid(619-04-5)1HNMR
3,4-Dimethylbenzoic acid(619-04-5)13CNMR
3,4-Dimethylbenzoic acid(619-04-5)IR1
3,4-Dimethylbenzoic acid(619-04-5)IR2
3,4-Dimethylbenzoic acid(619-04-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3,4-Dimethylbenzoic acid, 98%(619-04-5)
[Sigma Aldrich]

619-04-5(sigmaaldrich)
[TCI AMERICA]

3,4-Dimethylbenzoic Acid,>99.0%(T)(619-04-5)
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