796832

Phthalic acid mono-2-ethylhexyl ester

97%

• Synonym(s): mono-2-Ethylhexyl phthalate
• Empirical Formula (Hill Notation): C₁₆H₂₂O₄
• CAS Number: 4376-20-9
• Molecular Weight: 278.34
• Beilstein: 3206630
• MDL number: MFCD00041500
• UNSPSC Code: 12352100
• PubChem Substance ID: 329768552
• NACRES: NA.22

Properties

• description: Flash Point: >110°C
• Quality Level: 100
• Assay: 97%
• form: liquid (Colorless)
• refractive index: n/D 1.5051
• density: 1.0864 g/mL at 25 °C
• functional group: carboxylic acid; ester
• SMILES string: O=C(O)C1=CC=CC=C1C(OCC(CC)CCCC)=O
• InChI: 1S/C16H22O4/c1-3-5-8-12(4-2)11-20-16(19)14-10-7-6-9-13(14)15(17)18/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18)
• InChI key: DJDSLBVSSOQSLW-UHFFFAOYSA-N

Description

Application

Phthalic acid mono-2-ethylhexyl ester can be used as a precursor:

• To synthesize dioctyl phthalate, a widely used plasticizer, via esterification reaction with 2-ethylhexanol.
• To prepare a fluorescent probe, 2-[[(3′,6′-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-5-yl)amino]carbonyl] 2-ethylhexyl benzoic acid ester, to detect toxic metabolite mono-2-ethylhexyl phthalate (MEHP).

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319
• Precautionary Statements: P264 - P280 - P302 + P352 - P305 + P351 + P338 - P332 + P313 - P337 + P313
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2
• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3