Name: Name:2-Ethylhexyl Hydrogen Adipate
Brand: Angene
SKU: AG0037VU
Rating: 90 (10 reviews)

2-Ethylhexyl Hydrogen Adipate

CAS No.:

4337-65-9

Catalog Number:

AG0037VU

Molecular Formula:

C14H26O4

Molecular Weight:

258.3538

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Product Description

Catalog Number:

AG0037VU

Chemical Name:

2-Ethylhexyl Hydrogen Adipate

CAS Number:

4337-65-9

Molecular Formula:

C14H26O4

Molecular Weight:

258.3538

MDL Number:

MFCD01310621

IUPAC Name:

6-(2-ethylhexoxy)-6-oxohexanoic acid

InChI:

InChI=1S/C14H26O4/c1-3-5-8-12(4-2)11-18-14(17)10-7-6-9-13(15)16/h12H,3-11H2,1-2H3,(H,15,16)

InChI Key:

MBGYSHXGENGTBP-UHFFFAOYSA-N

SMILES:

CCCCC(COC(=O)CCCCC(=O)O)CC

EC Number:

224-386-7

Properties

Complexity:

238

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

258.183g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

258.358g/mol

Monoisotopic Mass:

258.183g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4

Literature

Title	Journal
Effect of surfactants on plasticizer biodegradation by Bacillus subtilis ATCC 6633.	Biodegradation 20070601

Properties