2-ethylhexyl phthalate

Chemical Formula:

C₁₆H₂₁O₄

Molecular Weight:

277.339 Daltons

Monoisotopic Mass:

278.1518091946 Daltons

SMILES:

CCCCC(CC)COC(=O)C1(C=CC=CC(C(=O)[O-])=1)

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)/p-1

InChIKey:

DJDSLBVSSOQSLW-UHFFFAOYSA-M

Databases

MetaCyc: 2-ETHYLHEXYL-PHTHALATE

RefMet: Monoethylhexyl phthalic acid

HMDB: HMDB13248

ChEBI: 58071

PubChem (CID): 21924291 20393

KEGG: C03343

Seed: cpd02123

MetaNetX: MNXM4670