| Identification | More | [Name]
2,6-Dimethoxybenzoic acid | [CAS]
1466-76-8 | [Synonyms]
2,6-DIMETHOXYBENZOIC ACID
AKOS BBS-00003742
RARECHEM AL BO 1076
2,6-dimethoxy-benzoicaci
Benzoicacid,2,6-dimethoxy-
2,6-Dimethoxybenzoic | [EINECS(EC#)]
215-985-4 | [Molecular Formula]
C9H10O4 | [MDL Number]
MFCD00002437 | [Molecular Weight]
182.17 | [MOL File]
1466-76-8.mol |
| Chemical Properties | Back Directory | [Appearance]
white to off-white crystalline powder | [Melting point ]
185-187 °C (lit.) | [Boiling point ]
275.56°C (rough estimate) | [density ]
1.2481 (rough estimate) | [refractive index ]
1.4500 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
14.7g/l soluble | [form ]
Crystalline Powder | [pka]
pK1:3.44 (25°C) | [color ]
White to off-white | [Water Solubility ]
0.35 g/100 mL (25 ºC) | [BRN ]
2212190 | [InChI]
1S/C9H10O4/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11) | [InChIKey]
MBIZFBDREVRUHY-UHFFFAOYSA-N | [SMILES]
COc1cccc(OC)c1C(O)=O | [LogP]
0.660 | [CAS DataBase Reference]
1466-76-8(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzoic acid, 2,6-dimethoxy-(1466-76-8) | [EPA Substance Registry System]
1466-76-8(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [RTECS ]
DG8598725
| [TSCA ]
Yes | [REACH Registrations]
Inactive | [HS Code ]
29189010 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
white to off-white crystalline powder | [Uses]
2,6-Dimethoxybenzoic Acid is used in the synthesis of indoles as well as coumarins related to Novobiocin (N888500), used as potent inhibitors of heat-shock protein 90 in the treatment of breast cancer. | [Definition]
ChEBI: 2,6-Dimethoxybenzoic acid is a member of benzenes and a carbonyl compound. It is a polyphenol compound found in foods of plant origin. | [Preparation]
2,6-Dimethoxybenzoic acid is the key intermediate in the preparation of gamma-resorcylic acid which has been described as having activity against rheumatic fever.
The Preparation of 2,6-Dimethoxybenzoic Acid
Cite this: J. Org. Chem. 1956, 21, 3, 368–369
Publication Date:March 1, 1956
https://doi.org/10.1021/jo01109a604 | [Synthesis Reference(s)]
Synthetic Communications, 22, p. 13, 1992 DOI: 10.1080/00397919208021074 | [Flammability and Explosibility]
Notclassified | [storage]
Store at -20°C | [Purification Methods]
Crystallise the acid from water or 1,1-dichloroethane (m 187.5-188.5o). [Beilstein 10 H 388, 10 I 185, 10 II 259, 10 III 1401, 10 IV 1456.] |
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Energy Chemical
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