CHEBI:143015 - isooctyl laurate

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ChEBI Name isooctyl laurate ChEBI ID CHEBI:143015 Definition A dodecanoate ester resulting from the formal condensation of the carboxy group of dodecanoic acid with the hydroxy group of 6-methylheptan-1-ol. Stars This entity has been manually annotated by the ChEBI Team. Submitter Mark Williams Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C20H40O2 Net Charge 0 Average Mass 312.531 Monoisotopic Mass 312.30283 InChI InChI=1S/C20H40O2/c1-4-5-6-7-8-9-10-11-14-17-20(21)22-18-15-12-13-16-19(2)3/h19H,4-18H2,1-3H3 InChIKey UNOGLHIYPXTOGD-UHFFFAOYSA-N SMILES O(CCCCCC(C)C)C(=O)CCCCCCCCCCC ChEBI Ontology Outgoing isooctyl laurate (CHEBI:143015) has functional parent 6-methylheptan-1-ol (CHEBI:44009) isooctyl laurate (CHEBI:143015) is a dodecanoate ester (CHEBI:87659) IUPAC Names 6-methylheptyl dodecanoate 6-methylheptyl laurate Registry Number Type Source 84713-06-4 CAS Registry Number ChemIDplus Last Modified 07 February 2019