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796832

Phthalic acid mono-2-ethylhexyl ester

Name: Phthalic acid mono-2-ethylhexyl ester
Brand: ALDRICH

97%

Synonym(s):

mono-2-Ethylhexyl phthalate

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About This Item

Empirical Formula (Hill Notation):

C₁₆H₂₂O₄

CAS Number:

4376-20-9

Molecular Weight:

278.34

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

329768552

MDL number:

MFCD00041500

Beilstein/REAXYS Number:

3206630

Assay:

97%

Form:

liquid (Colorless)

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Properties

description

Flash Point: >110°C

Quality Segment

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).

pictograms

GHS07

signalword

Warning

hcodes

H315,H319

pcodes

P264 - P280 - P302 + P352 - P305 + P351 + P338 - P332 + P313 - P337 + P313

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2

Storage Class

10 - Combustible liquids

wgk

WGK 3

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