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Structure

2-Tetradecyloctadecyl palmitate

CAS
94200-65-4
Catalog Number
ACM94200654
Category
Other Products
Molecular Weight
705.274640 [g/mol]
Molecular Formula
C48H96O2

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Specification

Synonyms
2-Tetradecyloctadecyl palmitate, EINECS 303-543-4, CID3023956, 94200-65-4
IUPAC Name
2-tetradecyloctadecyl hexadecanoate
Canonical SMILES
CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC
InChI Key
IGYMBVVZPQHQLQ-UHFFFAOYSA-N
Boiling Point
658.6ºC at 760mmHg
Flash Point
361.1ºC
Density
0.855g/cm³
EC Number
303-543-4
Exact Mass
704.74100
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 2-Tetradecyloctadecyl palmitate?

The molecular formula of 2-Tetradecyloctadecyl palmitate is C48H96O2.

What is the molecular weight of 2-Tetradecyloctadecyl palmitate?

The molecular weight of 2-Tetradecyloctadecyl palmitate is 705.3 g/mol.

When was 2-Tetradecyloctadecyl palmitate created and last modified?

2-Tetradecyloctadecyl palmitate was created on 2005-08-08 and last modified on 2023-12-30.

What is the IUPAC name of 2-Tetradecyloctadecyl palmitate?

The IUPAC name of 2-Tetradecyloctadecyl palmitate is 2-tetradecyloctadecyl hexadecanoate.

What is the InChI of 2-Tetradecyloctadecyl palmitate?

The InChI of 2-Tetradecyloctadecyl palmitate is InChI=1S/C48H96O2/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47(43-40-37-34-31-28-24-21-18-15-12-9-6-3)46-50-48(49)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h47H,4-46H2,1-3H3.

What is the InChIKey of 2-Tetradecyloctadecyl palmitate?

The InChIKey of 2-Tetradecyloctadecyl palmitate is IGYMBVVZPQHQLQ-UHFFFAOYSA-N.

What is the Canonical SMILES of 2-Tetradecyloctadecyl palmitate?

The Canonical SMILES of 2-Tetradecyloctadecyl palmitate is CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC.

What is the XLogP3-AA value of 2-Tetradecyloctadecyl palmitate?

The XLogP3-AA value of 2-Tetradecyloctadecyl palmitate is 23.6.

How many hydrogen bond acceptors does 2-Tetradecyloctadecyl palmitate have?

2-Tetradecyloctadecyl palmitate has 2 hydrogen bond acceptors.

Is 2-Tetradecyloctadecyl palmitate a canonicalized compound?

Yes, 2-Tetradecyloctadecyl palmitate is a canonicalized compound.

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