Propanoic Acid, Isooctyl Ester

CAS

9036-63-9

Catalog Number

ACM9036639

Category

Main Products

Molecular Weight

186.29

Molecular Formula

C11H22O2

MSDS COA Spec Sheet

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Specification

Synonyms

6-methylheptyl propanoate

Appearance

Liquid

What is the molecular formula of Propanoic Acid, Isooctyl Ester?

The molecular formula of Propanoic Acid, Isooctyl Ester is C11H22O2.

What are the synonyms for Propanoic Acid, Isooctyl Ester?

The synonyms for Propanoic Acid, Isooctyl Ester are CCRIS 4353, 9036-63-9, 68928-75-6, and Propanoic acid 6-methylheptyl ester.

What is the molecular weight of Propanoic Acid, Isooctyl Ester?

The molecular weight of Propanoic Acid, Isooctyl Ester is 186.29 g/mol.

When was Propanoic Acid, Isooctyl Ester created and modified?

Propanoic Acid, Isooctyl Ester was created on August 8, 2005, and last modified on October 21, 2023.

What is the IUPAC name of Propanoic Acid, Isooctyl Ester?

The IUPAC name of Propanoic Acid, Isooctyl Ester is 6-methylheptyl propanoate.

What is the InChI of Propanoic Acid, Isooctyl Ester?

The InChI of Propanoic Acid, Isooctyl Ester is InChI=1S/C11H22O2/c1-4-11(12)13-9-7-5-6-8-10(2)3/h10H,4-9H2,1-3H3.

What is the InChIKey of Propanoic Acid, Isooctyl Ester?

The InChIKey of Propanoic Acid, Isooctyl Ester is AIAMDEVDYXNNEU-UHFFFAOYSA-N.

What is the canonical SMILES of Propanoic Acid, Isooctyl Ester?

The canonical SMILES of Propanoic Acid, Isooctyl Ester is CCC(=O)OCCCCCC(C)C.

What are the other identifiers for Propanoic Acid, Isooctyl Ester?

The other identifiers for Propanoic Acid, Isooctyl Ester are CAS numbers 9036-63-9 and 68928-75-6, DSSTox Substance ID DTXSID7071866, and Nikkaji Number J441.248F.

What are some computed properties of Propanoic Acid, Isooctyl Ester?

Some computed properties of Propanoic Acid, Isooctyl Ester include a molecular weight of 186.29 g/mol, XLogP3-AA of 3.7, hydrogen bond acceptor count of 2, rotatable bond count of 8, and a topological polar surface area of 26.3Å².

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