| Identification | More | [Name]
2,5-Dimethylbenzoic acid | [CAS]
610-72-0 | [Synonyms]
2,5-DIMETHYLBENZOIC ACID
LABOTEST-BB LT01148277
OTAVA-BB BB7019091163
P-XYLENE-2-CARBOXYLIC ACID
P-XYLYLIC ACID
RARECHEM AL BO 0034
TIMTEC-BB SBB008434
2,5-dimethyl-benzoicaci
2-Carboxy-1,4-dimethylbenzene
Isoxylic acid
Benzoic acid, 2,5-dimethyl-(7CI,8CI,9CI)
2,5-Dimethylbenzoic acid, 98+% | [EINECS(EC#)]
210-235-2 | [Molecular Formula]
C9H10O2 | [MDL Number]
MFCD00002482 | [Molecular Weight]
150.17 | [MOL File]
610-72-0.mol |
| Chemical Properties | Back Directory | [Appearance]
white to off-white crystalline powder | [Melting point ]
132-134 °C (lit.) | [Boiling point ]
268 °C (lit.) | [density ]
1,069 g/cm3 | [refractive index ]
1.5188 (estimate) | [Fp ]
268°C subl. | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Solubility - Very faint turbidity with Methanol. | [form ]
Crystalline Powder | [pka]
pKa: 3.990(25°C) | [color ]
White to off-white | [Water Solubility ]
0.18g/L(25 ºC) | [BRN ]
971588 | [InChI]
1S/C9H10O2/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5H,1-2H3,(H,10,11) | [InChIKey]
XZRHNAFEYMSXRG-UHFFFAOYSA-N | [SMILES]
Cc1ccc(C)c(c1)C(O)=O | [CAS DataBase Reference]
610-72-0(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzoic acid, 2,5-dimethyl-(610-72-0) | [EPA Substance Registry System]
610-72-0(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [TSCA ]
Yes | [HS Code ]
29163990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
white to off-white crystalline powder | [Uses]
2,5-Dimethylbenzoic acid was used in the synthesis of new derivatives of [24]paracyclophane. It was used as starting reagent in the synthesis of methyl 2,5-dimethylbenzoate. | [Definition]
ChEBI: A dimethylbenzoic acid in which the two methyl groups are located at positions 2 and 5. | [General Description]
2,5-Dimethylbenzoic acid is a metabolite of pseudocumene (1,2,4-trimethylbenzene). | [Purification Methods]
Steam distil the acid, then crystallise it from EtOH or H2O (m 134-134.5o). [Beilstein 9 H 534, 9 IV 1802.] |
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