796832
Phthalic acid mono-2-ethylhexyl ester
97%
Synonym(s):
mono-2-Ethylhexyl phthalate
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About This Item
Empirical Formula (Hill Notation):
C16H22O4
CAS Number:
Molecular Weight:
278.34
Beilstein:
3206630
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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description
Flash Point: >110°C
Quality Level
Assay
97%
form
liquid (Colorless)
refractive index
n/D 1.5051
density
1.0864 g/mL at 25 °C
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
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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).
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2
Storage Class Code
10 - Combustible liquids
WGK
WGK 3
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