Octyl 2-ethylhexanoate

CAS
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Purity
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CAS
93777-45-8
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM93777458

Product Name

Octyl 2-ethylhexanoate

Structure

Structure

CAS

93777-45-8

Category

Heterocyclic Organic Compound

Synonyms

Octyl 2-ethylhexanoate, EINECS 298-077-0, CID546488, Hexanoic acid, 2-ethyl-, octyl ester, 93777-45-8

IUPAC Name

octyl 2-ethylhexanoate

Molecular Weight

256.424080 [g/mol]

Molecular Formula

C₁₆H₃₂O₂

Canonical SMILES

CCCCCCCCOC(=O)C(CC)CCCC

InChI Key

LGCQCKHJCZIRTE-UHFFFAOYSA-N

Boiling Point

296.8ºC at 760mmHg

Flash Point

134.7ºC

Density

0.864g/cm³

EC Number

298-077-0

Exact Mass

256.24000

H-Bond Acceptor

2

H-Bond Donor

0

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of Octyl 2-ethylhexanoate?

The molecular formula of Octyl 2-ethylhexanoate is C16H32O2.

What is the molecular weight of Octyl 2-ethylhexanoate?

The molecular weight of Octyl 2-ethylhexanoate is 256.42 g/mol.

What is the IUPAC name of Octyl 2-ethylhexanoate?

The IUPAC name of Octyl 2-ethylhexanoate is octyl 2-ethylhexanoate.

What is the InChI code for Octyl 2-ethylhexanoate?

The InChI code for Octyl 2-ethylhexanoate is InChI=1S/C16H32O2/c1-4-7-9-10-11-12-14-18-16(17)15(6-3)13-8-5-2/h15H,4-14H2,1-3H3.

What is the InChIKey of Octyl 2-ethylhexanoate?

The InChIKey of Octyl 2-ethylhexanoate is LGCQCKHJCZIRTE-UHFFFAOYSA-N.

What is the canonical SMILES of Octyl 2-ethylhexanoate?

The canonical SMILES of Octyl 2-ethylhexanoate is CCCCCCCCOC(=O)C(CC)CCCC.

What is the CAS number of Octyl 2-ethylhexanoate?

The CAS number of Octyl 2-ethylhexanoate is 93777-45-8.

What is the European Community (EC) number of Octyl 2-ethylhexanoate?

The European Community (EC) number of Octyl 2-ethylhexanoate is 298-077-0.

What is the XLogP3-AA value of Octyl 2-ethylhexanoate?

The XLogP3-AA value of Octyl 2-ethylhexanoate is 6.4.

Is Octyl 2-ethylhexanoate a canonicalized compound?

Yes, Octyl 2-ethylhexanoate is a canonicalized compound according to PubChem.

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