2,7-Dimethyloctyl butyrate

CAS

94277-02-8

Catalog Number

ACM94277028

Category

Other Products

Molecular Weight

228.370920 [g/mol]

Molecular Formula

C₁₄H₂₈O₂

MSDS COA Spec Sheet

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Specification

Synonyms

2,7-Dimethyloctyl butyrate, EINECS 304-587-7, CID3024201, 94277-02-8

IUPAC Name

2,7-dimethyloctyl butanoate

Canonical SMILES

CCCC(=O)OCC(C)CCCCC(C)C

InChI Key

IACQBEPHJZDBPN-UHFFFAOYSA-N

Boiling Point

256.3ºC at 760mmHg

Flash Point

115.6ºC

Density

0.865g/cm³

EC Number

304-587-7

Exact Mass

228.20900

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 2,7-Dimethyloctyl butyrate?

The molecular formula is C14H28O2.

When was 2,7-Dimethyloctyl butyrate created in PubChem?

It was created on 2005-08-08.

What is the IUPAC Name of 2,7-Dimethyloctyl butyrate?

The IUPAC Name is 2,7-dimethyloctyl butanoate.

What is the Canonical SMILES of 2,7-Dimethyloctyl butyrate?

The Canonical SMILES is CCCC(=O)OCC(C)CCCCC(C)C.

What is the CAS number of 2,7-Dimethyloctyl butyrate?

The CAS number is 94277-02-8.

What is the Molecular Weight of 2,7-Dimethyloctyl butyrate?

The Molecular Weight is 228.37 g/mol.

How many hydrogen bond acceptors are there in 2,7-Dimethyloctyl butyrate?

There are 2 hydrogen bond acceptors.

What is the value of XLogP3-AA for 2,7-Dimethyloctyl butyrate?

The value is 5.1.

How many rotatable bond counts are there in 2,7-Dimethyloctyl butyrate?

There are 10 rotatable bonds.

Is the compound canonicalized according to PubChem?

Yes, the compound is canonicalized.

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