Structure

Methyl acetyl ricinoleate

CAS
140-03-4
Catalog Number
ACM140034-2
Category
Polymer/Macromolecule
Molecular Weight
354.5
Molecular Formula
C21H38O4

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Specification

Synonyms
Methyl 12-acetoxyoleate
IUPAC Name
Methyl (Z,12R)-12-acetyloxyoctadec-9-enoate
Canonical SMILES
CCCCCCC(CC=CCCCCCCCC(=O)OC)OC(=O)C
InChI
InChI=1S/C21H38O4/c1-4-5-6-13-16-20(25-19(2)22)17-14-11-9-7-8-10-12-15-18-21(23)24-3/h11,14,20H,4-10,12-13,15-18H2,1-3H3/b14-11-/t20-/m1/s1
InChI Key
CMOYPQWMTBSLJK-ACQXMXPUSA-N
Boiling Point
185 °C
Melting Point
-26°C
Flash Point
198°C
Density
185 C 2mm
Active Content
95%
Alpha Sort
Methyl acetyl ricinoleate
Assay
0.9999
Complexity
363
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
1
Exact Mass
354.27700969
Formal Charge
0
Grade
Industrial grade
H-Bond Acceptor
4
H-Bond Donor
0
Heavy Atom Count
25
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
0
Isomeric SMILES
CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OC)OC(=O)C
Isotope Atom Count
0
Monoisotopic Mass
354.27700969
Packaging
10 g
Physical State
Liquid
Refractive Index
1.459
Rotatable Bond Count
18
Topological Polar Surface Area
52.6 Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Viscosity
0.2s (25°C)
What is the molecular formula of Methyl acetyl ricinoleate?

The molecular formula of Methyl acetyl ricinoleate is C21H38O4.

What is the molecular weight of Methyl acetyl ricinoleate?

The molecular weight of Methyl acetyl ricinoleate is 354.5 g/mol.

What are some synonyms for Methyl acetyl ricinoleate?

Some synonyms for Methyl acetyl ricinoleate are Flexricin P-4 and Methyl 12-acetoxyoleate.

How is the IUPAC name of Methyl acetyl ricinoleate computed?

The IUPAC name of Methyl acetyl ricinoleate is computed by Lexichem TK 2.7.0.

What is the Canonical SMILES for Methyl acetyl ricinoleate?

The Canonical SMILES for Methyl acetyl ricinoleate is CCCCCCC(CC=CCCCCCCCC(=O)OC)OC(=O)C.

What is the InChIKey for Methyl acetyl ricinoleate?

The InChIKey for Methyl acetyl ricinoleate is CMOYPQWMTBSLJK-ACQXMXPUSA-N.

How many hydrogen bond acceptor counts does Methyl acetyl ricinoleate have?

Methyl acetyl ricinoleate has 4 hydrogen bond acceptor counts.

What is the topological polar surface area of Methyl acetyl ricinoleate?

The topological polar surface area of Methyl acetyl ricinoleate is 52.6Ų.

How many defined atom stereocenter counts does Methyl acetyl ricinoleate have?

Methyl acetyl ricinoleate has 1 defined atom stereocenter count.

What is the formal charge of Methyl acetyl ricinoleate?

The formal charge of Methyl acetyl ricinoleate is 0.

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