Tetrahydrofurfuryl oleate supplier

Name
TETRAHYDROFURFURYL OLEATE
EINECS 226-532-5
CAS No. 5420-17-7
Density 0.927 g/cm³
Solubility
Melting Point
Formula C₂₃H₄₂O₃
Boiling Point 459.8 °C at 760 mmHg
Molecular Weight 366.585
Flash Point 173.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 9-Octadecenoicacid (Z)-, (tetrahydro-2-furanyl)methyl ester;Oleic acid, tetrahydrofurfurylester (6CI,7CI,8CI);Furfuryl alcohol, tetrahydro-, oleate;NSC 4843;PX 658;Plastolein 9250;Tetrahydrofurfuryl oleate;
PSA 35.53000
LogP 6.74610

Synthetic route

: 97-99-4
Tetrahydrofurfuryl alcohol

: 112-77-6
(Z)-9-octadecenoyl chloride

: 5420-17-7
(Z)-(tetrahydrofuran-2-yl)methyl octadec-9-enoate

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 0 - 20℃; Inert atmosphere;	92%

: 97-99-4
Tetrahydrofurfuryl alcohol

: 112-80-1
cis-Octadecenoic acid

: 5420-17-7
(Z)-(tetrahydrofuran-2-yl)methyl octadec-9-enoate

Conditions

Conditions	Yield
With naphthalene-2-sulfonate; benzene
With toluene-4-sulfonic acid; benzene

: 112-80-1
cis-Octadecenoic acid

: 5420-17-7
(Z)-(tetrahydrofuran-2-yl)methyl octadec-9-enoate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 3 h / 0 - 20 °C / Inert atmosphere 2: triethylamine / tetrahydrofuran / 0 - 20 °C / Inert atmosphere View Scheme

Tetrahydrofurfuryl oleate Specification

The Tetrahydrofurfuryl oleate, with the CAS registry number 5420-17-7, is also known as Tetrahydrofurfuryl 9-octadecenoate. Its EINECS registry number is 226-532-5. This chemical's molecular formula is C₂₃H₄₂O₃ and molecular weight is 366.313395. Its IUPAC name is called oxolan-2-ylmethyl (E)-octadec-9-enoate.

Physical properties of Tetrahydrofurfuryl oleate: (1)ACD/LogP: 8.14; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.14; (4)ACD/LogD (pH 7.4): 8.14; (5)ACD/BCF (pH 5.5): 904159.31; (6)ACD/BCF (pH 7.4): 904159.31; (7)ACD/KOC (pH 5.5): 638335.44; (8)ACD/KOC (pH 7.4): 638335.44; (9)#H bond acceptors: 3; (10)#Freely Rotating Bonds: 18; (11)Index of Refraction: 1.468; (12)Molar Refractivity: 109.97 cm³; (13)Molar Volume: 395 cm³; (14)Surface Tension: 34.4 dyne/cm; (15)Density: 0.927 g/cm³; (16)Flash Point: 173.5 °C; (17)Enthalpy of Vaporization: 72.04 kJ/mol; (18)Boiling Point: 459.8 °C at 760 mmHg; (19)Vapour Pressure: 1.22E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC1CCCO1
(2)Isomeric SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OCC1CCCO1
(3)InChI: InChI=1S/C23H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23(24)26-21-22-18-17-20-25-22/h9-10,22H,2-8,11-21H2,1H3/b10-9+
(4)InChIKey: GIPDEPRRXIBGNF-MDZDMXLPSA-N

Product Name

TETRAHYDROFURFURYL OLEATE

Synthetic route

Tetrahydrofurfuryl oleate Specification

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