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Glyceryl monooleate

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Name

Glyceryl monooleate

EINECS 203-827-7
CAS No. 111-03-5 Density 0.969 g/cm3
PSA 66.76000 LogP 4.92030
Solubility N/A Melting Point 35-37 °C
Formula C21H40O4 Boiling Point 483.3 °C at 760 mmHg
Molecular Weight 356.54 Flash Point 155.4 °C
Transport Information UN 1282 3/PG 2 Appearance N/A
Safety 36/37 Risk Codes 11-20/21/22
Molecular Structure Molecular Structure of 111-03-5 (MONOOLEIN) Hazard Symbols FlammableF, HarmfulXn
Synonyms

9-Octadecenoicacid (Z)-, 2,3-dihydroxypropyl ester;Olein, 1-mono- (8CI);1-Glyceryl oleate;1-Mono(cis-9-octacenoyl)glycerol;1-Monoolein;1-Monooleoyl-rac-glycerol;1-Monooleoylglycerol;1-Oleoylglycerol;1-Oleylglycerol;2,3-Dihydroxypropyloleate;Danisco MO 90;Dimodan MO 90;Dimodan MO 90D;Glycerin 1-monooleate;Glycerol 1-monooleate;Glycerol 1-oleate;Glycerol a-cis-9-octadecenate;Glycerol a-monooleate;Glyceryl monooleate;Rylo MG 19;rac-1-Monoolein;rac-1-Monooleoylglycerol;a-Monoolein;

Article Data 53

Glyceryl monooleate Synthetic route

89231-63-0

4-<(tert-butoxycarbonylcarbonyl)amino>butyric anhydride

111-03-5

monooleoylglycerol

108920-49-6

1-oleoyl-2,3-bis<4-<(tert-butoxycarbonyl)amino>butyryl>propane-1,2,3-triol

Conditions
ConditionsYield
With dmap In benzene Ambient temperature;95%
111-03-5

monooleoylglycerol

108920-53-2

1-oleoyl-2,3-bis(4-aminobutyryl)propane-1,2,3-triol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 95 percent / 4-(dimethylamino)pyridine (DMAP) / benzene / Ambient temperature
2: TFA / CH2Cl2 / 4 °C
View Scheme

Glyceryl monooleate Specification

The Glyceryl monooleate, with the cas registry number 111-03-5, has the IUPAC name of 2,3-dihydroxypropyl (Z)-octadec-9-enoate. Its product categories are including Functional Materials; Plasticizer; Polyalcohol Ethers, Esters (Plasticizer).

The physical properties of this chemical are as follows: (1)ACD/LogP: 6.71; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.71; (4)ACD/LogD (pH 7.4): 6.71; (5)ACD/BCF (pH 5.5): 74062.26; (6)ACD/BCF (pH 7.4): 74062.18; (7)ACD/KOC (pH 5.5): 106472.61; (8)ACD/KOC (pH 7.4): 106472.49; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 21; (12)Polar Surface Area: 44.76; (13)Index of Refraction: 1.478; (14)Molar Refractivity: 104.2 cm3; (15)Molar Volume: 367.6 cm3; (16)Polarizability: 41.3 ×10-24 cm3; (17)Surface Tension: 37.5 dyne/cm; (18)Density: 0.969 g/cm3; (19)Flash Point: 155.4 °C; (20)Enthalpy of Vaporization: 86.24 kJ/mol; (21)Boiling Point: 483.3 °C at 760 mmHg; (22)Vapour Pressure: 2.27E-11 mmHg at 25°C; (23)Exact Mass: 356.29266; (24)MonoIsotopic Mass: 356.29266; (25)Topological Polar Surface Area: 66.8; (26)Heavy Atom Count: 25; (27)Complexity: 315.

When you are using this chemical, you should be very cautious. For being a kind of harmful chemicals, it may cause damage to health. If by inhalation, in contact with skin and if swallowed, it will be very harmful. And it is also highly flammable, and may catch fire in contact with air, only needing brief contact with an ignition source. Besides, it has a very low flash point or evolve highly flammable gases in contact with water. Therefore, you should wear suitable protective clothing and gloves.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O
(2)Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)O
(3)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-
(4)InChIKey: RZRNAYUHWVFMIP-KTKRTIGZSA-N

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