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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 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).

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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Reactive Extraction Strategy for Synthesizing Dioctyl Phthalate Intensified by Bifunctional Deep Eutectic Solvent [Im: 2PTSA]

Qin Hao, et al.

Chemical Engineering and Processing, 157, 108060-108060 (2020)

The oxidative stress responses caused by phthalate acid esters increases mRNA abundance of base excision repair (BER) genes in vivo and in vitro.

Chunjiao Lu et al.

Ecotoxicology and environmental safety, 208, 111525-111525 (2020-10-30)

The base excision repair (BER) pathway is an important defense response to oxidative DNA damage. It is known that exposures to phthalate esters (PAEs), including Dibutyl phthalate (DBP), Mono-(2-ethylhexyl) phthalate (MEHP), and Di-(2-ethylhexyl) phthalate (DEHP), cause reactive oxygen species-induced DNA

In Situ Fluorescence Tracking Toxic Metabolite Mono-2-ethylhexyl phthalate (MEHP) of Di-(2-ethylhexyl) phthalate (DEHP) in HeLa Cells

Huo Shao-Jie, et al.

Chemical Research in Toxicology, 32(10), 2006-2015 (2019)

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