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Phthalic acid mono-2-ethylhexyl ester

ALDRICH/796832 - 97%

Synonym: mono-2-Ethylhexyl phthalate

CAS Number: 4376-20-9
Empirical Formula (Hill Notation): C16H22O4
Molecular Weight: 278.34
MDL Number: MFCD00041500
Linear Formula: C16H22O4
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-796832-500MG 500 mg
 $116.00
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assay 97%
density 1.0864 g/mL at 25 °C
description Flash Point: >110°C
form liquid (Colorless)
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
refractive index n/D 1.5051
SMILES string O=C(O)C1=CC=CC=C1C(OCC(CC)CCCC)=O
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).
Packaging: 500 mg in glass bottle
Purity 97%
Density 1.0864 g/mL at 25 °C
Refractive Index n/D 1.5051
UNSPSC 12352100

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