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40321-98-0

40321-98-0 Structure

40321-98-0 Structure
IdentificationBack Directory
[Name]

mono(2-ethyl-5-oxohexyl)phthalate
[CAS]

40321-98-0
[Synonyms]

MEOHP
5-Oxo-MEHP
2-Ethyl-5-oxohexyl Phthalate
mono(2-ethyl-5-oxohexyl)phthalate
rac Mono(2-ethyl-5-oxohexyl) Phthalate
mono-[(2RS)-2-Ethyl-5-oxohexyl] phthalate
Mono(2-ethyl-5-oxohexyl) phthalate (MEOHP)
Phthalic Acid Mono(2-ethyl-5-oxohexyl) Ester
2-(((2-Ethyl-5-oxohexyl)oxy)carbonyl)benzoic acid
1,2-Benzenedicarboxylic Acid 1-(2-Ethyl-5-oxohexyl) Ester
[Molecular Formula]

C16H20O5
[MDL Number]

MFCD01748352
[MOL File]

40321-98-0.mol
[Molecular Weight]

292.33
Chemical PropertiesBack Directory
[Boiling point ]

478.7±30.0 °C(Predicted)
[density ]

1.155±0.06 g/cm3(Predicted)
[refractive index ]

n20/D 1.516-1.518
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Slightly), Hexanes (Slightly), Methanol (Slightly)
[form ]

Oil
[pka]

3.37±0.36(Predicted)
[color ]

Yellow to Brown
[BRN ]

920863
[Major Application]

cleaning products
cosmetics
environmental
food and beverages
personal care
[InChI]

1S/C16H20O5/c1-3-12(9-8-11(2)17)10-21-16(20)14-7-5-4-6-13(14)15(18)19/h4-7,12H,3,8-10H2,1-2H3,(H,18,19)
[InChIKey]

HCWNFKHKKHNSSL-UHFFFAOYSA-N
[SMILES]

O=C(OCC(CC)CCC(C)=O)C1=CC=CC=C1C(O)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P280-P305+P351+P338-P337+P313
[WGK Germany ]

WGK 3
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
Hazard InformationBack Directory
[Chemical Properties]

Brown Liquid
[Uses]

A phthalate metabolite. Prenatal phthalate exposure could have potential neurological effects in humans and animals.
[Definition]

ChEBI: A phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of 2-ethyl-5-oxohexan-1-ol.
Spectrum DetailBack Directory
[Spectrum Detail]

mono(2-ethyl-5-oxohexyl)phthalate(40321-98-0)1HNMR
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