Structure

1-monoolein

CAS
111-03-5
Catalog Number
ACM111035
Category
Non-ionic Surfactants; Glycerides
Molecular Weight
356.54
Molecular Formula
C21H40O4

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Specification

Description
DryPowder; Liquid; OtherSolid;OtherSolid;Liquid;pale yellow viscous oily liquid with a faint fatty odour
Synonyms
1-Monooleate glycerol
IUPAC Name
2,3-dihydroxypropyl (Z)-octadec-9-enoate
Canonical SMILES
CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O
InChI
InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-
InChI Key
RZRNAYUHWVFMIP-KTKRTIGZSA-N
Boiling Point
238-240 °C
Melting Point
35 °C
Density
0.9420 @ 20 °C/4 °C;0.925-0.935
Solubility
INSOL IN WATER; SOL IN ETHANOL, ETHER, CHLOROFORM;insoluble in water; soluble in hot organic solvents;soluble in hot alcohol (in ethanol)
Appearance
White powder
Storage
Freezer
Bond Position Cis Trans
∆9 Cis
CNo.Chain
C18:1
Color/Form
PLATES FROM ETHANOL;YELLOW OIL OR SOFT SOLID
Complexity
315
Covalently-Bonded Unit Count
1
EC Number
203-827-7;247-038-6;266-951-0
Exact Mass
356.29266g/mol
Formal Charge
0
Glyceride
Monoolein
H-Bond Acceptor
4
H-Bond Donor
2
Heavy Atom Count
25
Monoisotopic Mass
356.29266g/mol
NSC Number
406285
Odor
SWEET
Other Experimental
MELTING POINT: 32 °C (UNSTABLE) /PRIMARY BETA FORM/; 35.5 °C (STABLE) /BETA FORM/;IODINE VALUE 65-80
Physical State
White powder
Refractive Index
INDEX OF REFRACTION: 1.4626 @ 40 °C/D;1.462-1.468
Rotatable Bond Count
19
XLogP3
6.5
What is the molecular formula of Monoolein?

The molecular formula of Monoolein is C21H40O4.

What is the molecular weight of Monoolein?

The molecular weight of Monoolein is 356.5 g/mol.

What are some synonyms for Monoolein?

Some synonyms for Monoolein include glyceryl monooleate, 111-03-5, 2,3-dihydroxypropyl oleate, and 1-monoolein.

What is the IUPAC name of Monoolein?

The IUPAC name of Monoolein is 2,3-dihydroxypropyl (Z)-octadec-9-enoate.

What is the InChIKey of Monoolein?

The InChIKey of Monoolein is RZRNAYUHWVFMIP-KTKRTIGZSA-N.

What is the Canonical SMILES of Monoolein?

The Canonical SMILES of Monoolein is CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O.

How many hydrogen bond donor counts does Monoolein have?

Monoolein has 2 hydrogen bond donor counts.

What is the XLogP3 value of Monoolein?

The XLogP3 value of Monoolein is 6.5.

What is the EC Number of Monoolein?

The EC Number of Monoolein is 203-827-7.

What is the FEMA Number of Monoolein?

The FEMA Number of Monoolein is 2526.

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