2,2-Bis-(hydroxymethyl)butyl docosanoate

CAS
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Purity
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CAS
94201-60-2
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM94201602

Product Name

2,2-Bis-(hydroxymethyl)butyl docosanoate

Structure

Structure

CAS

94201-60-2

Category

Heterocyclic Organic Compound

Synonyms

EINECS 303-648-5, CID3023996, 2,2-Bis(hydroxymethyl)butyl docosanoate, 94201-60-2

IUPAC Name

2,2-bis(hydroxymethyl)butyl docosanoate

Molecular Weight

456.741840 [g/mol]

Molecular Formula

C₂₈H₅₆O₄

Canonical SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CC)(CO)CO

InChI Key

YCUULKHNJZXLCO-UHFFFAOYSA-N

Boiling Point

531.8ºC at 760 mmHg

Flash Point

156ºC

Density

0.933g/cm³

EC Number

303-648-5

Exact Mass

456.41800

H-Bond Acceptor

4

H-Bond Donor

2

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 2,2-Bis-(hydroxymethyl)butyl docosanoate?

The molecular formula of 2,2-Bis-(hydroxymethyl)butyl docosanoate is C28H56O4.

When was 2,2-Bis-(hydroxymethyl)butyl docosanoate created according to PubChem?

2,2-Bis-(hydroxymethyl)butyl docosanoate was created on August 8, 2005.

What is the molecular weight of 2,2-Bis-(hydroxymethyl)butyl docosanoate?

The molecular weight of 2,2-Bis-(hydroxymethyl)butyl docosanoate is 456.7 g/mol.

What is the InChIKey of 2,2-Bis-(hydroxymethyl)butyl docosanoate?

The InChIKey of 2,2-Bis-(hydroxymethyl)butyl docosanoate is YCUULKHNJZXLCO-UHFFFAOYSA-N.

How many hydrogen bond donor counts are there in 2,2-Bis-(hydroxymethyl)butyl docosanoate?

There are 2 hydrogen bond donor counts in 2,2-Bis-(hydroxymethyl)butyl docosanoate.

What is the XLogP3-AA value of 2,2-Bis-(hydroxymethyl)butyl docosanoate?

The XLogP3-AA value of 2,2-Bis-(hydroxymethyl)butyl docosanoate is 10.3.

What is the UNII of 2,2-Bis-(hydroxymethyl)butyl docosanoate?

The UNII of 2,2-Bis-(hydroxymethyl)butyl docosanoate is K6U9U77BLX.

How many rotatable bond counts are there in 2,2-Bis-(hydroxymethyl)butyl docosanoate?

There are 26 rotatable bond counts in 2,2-Bis-(hydroxymethyl)butyl docosanoate.

Is 2,2-Bis-(hydroxymethyl)butyl docosanoate a canonicalized compound according to PubChem?

Yes, 2,2-Bis-(hydroxymethyl)butyl docosanoate is a canonicalized compound according to PubChem.

What is the topological polar surface area of 2,2-Bis-(hydroxymethyl)butyl docosanoate?

The topological polar surface area of 2,2-Bis-(hydroxymethyl)butyl docosanoate is 66.8 Å².

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