| Identification | More | [Name]
2-Ethoxybenzoic acid | [CAS]
134-11-2 | [Synonyms]
2-ETHOXYBENZOIC ACID
AKOS BBB/251
ETHOXYBENZOIC-2 ACID
O-ETHOXYBENZOIC ACID
RARECHEM AL BO 0030
2-ethoxy-benzoicaci
Benzoic acid, o-ethoxy-
ortho-Ethoxybenzoic acid
O-Ethylsalicylic acid
2-Ethromycin acid
2-ETHOXYBENZOIC ACID, 98+%
2-Ethoxybenzoic
Benzoic acid, 2-ethoxy- | [EINECS(EC#)]
205-130-3 | [Molecular Formula]
C9H10O3 | [MDL Number]
MFCD00002438 | [Molecular Weight]
166.17 | [MOL File]
134-11-2.mol |
| Chemical Properties | Back Directory | [Appearance]
Pale yellow low melting solid | [Melting point ]
19.3-19.5 °C (lit.) | [Boiling point ]
174-176 °C/15 mmHg (lit.) | [density ]
1.105 g/mL at 25 °C(lit.)
| [vapor pressure ]
0.281Pa at 25℃ | [refractive index ]
n20/D 1.54(lit.)
| [Fp ]
>230 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
95% ethanol: soluble5%, clear, colorless to yellow | [form ]
Liquid | [pka]
pK1:4.21 (20°C) | [color ]
White or Colorless to Light yellow to Light orange | [Specific Gravity]
1.105 | [Water Solubility ]
Soluble in water. | [BRN ]
2691039 | [InChI]
1S/C9H10O3/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H,10,11) | [InChIKey]
XDZMPRGFOOFSBL-UHFFFAOYSA-N | [SMILES]
CCOc1ccccc1C(O)=O | [LogP]
1.295 at 25℃ | [CAS DataBase Reference]
134-11-2(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzoic acid, 2-ethoxy-(134-11-2) | [EPA Substance Registry System]
134-11-2(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,T | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R26:Very Toxic by inhalation.
R22:Harmful if swallowed. | [Safety Statements ]
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37:Wear suitable protective clothing and gloves .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [TSCA ]
Yes | [HazardClass ]
IRRITANT | [HS Code ]
29189900 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Irrit. 2 |
| Hazard Information | Back Directory | [Chemical Properties]
Pale yellow low melting solid | [Uses]
2-Ethoxybenzoic acid is used in thermally induced solvent-free reactions of triphenylbismuth with a series of thiols and carboxylic acids. It serves as an active component of dental cement. Further, it prevents the entry of root-canal pathogens into periapical regions. | [General Description]
2-Ethoxybenzoic acid is dental cement. It is root-end filling material and prevents the entry of root-canal pathogens into periapical regions. | [Flammability and Explosibility]
Notclassified | [Synthesis]
The general procedure for the synthesis of 2-ethoxybenzoic acid from ethyl o-ethoxybenzoate was as follows: potassium tert-butoxide (10 g, 890 mmol) was added batchwise to a stirred solution of ethyl 2-ethoxybenzoate (10 g, 240 mmol) in dimethyl sulfoxide (40 mL). The reaction mixture was heated to 70 °C in a water bath and maintained at this temperature for 2 h. The progress of the reaction was monitored by thin layer chromatography (TLC) using hexane-ethyl acetate (8:2) as a spreading agent. Upon completion of the reaction, the reaction mixture was cooled to 10 °C and poured into ice water. Subsequently, the reaction mixture was acidified with 5% dilute hydrochloric acid. The precipitated solid was filtered and washed thoroughly with distilled water. The crude product was recrystallized in hexane (50 mL) to give a final off-white solid 2-ethoxybenzoic acid (7.6 g, 80% yield). | [References]
[1] Patent: US2006/167107, 2006, A1. Location in patent: Page/Page column 4
[2] Justus Liebigs Annalen der Chemie, 1922, vol. 429, p. 169
[3] Journal of the Chemical Society, Chemical Communications, 1992, # 11, p. 823 - 824 |
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