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Phenol,4-[2,3-dihydro-7-methoxy-3-methyl-5-(1-propen-1-yl)-2-benzofuranyl]-2-methoxy- (2680-81-1)

Identification
Name:Phenol,4-[2,3-dihydro-7-methoxy-3-methyl-5-(1-propen-1-yl)-2-benzofuranyl]-2-methoxy-
Synonyms:Guaiacol,4-(2,3-dihydro-7-methoxy-3-methyl-5-propenyl-2-benzofuranyl)- (6CI);Guaiacol,4-(2,3-dihydro-7-methoxy-3-methyl-5-propenyl-2-benzofuryl)- (4CI);Phenol,4-(2,3-dihydro-7-methoxy-3-methyl-5-propenyl-2-benzofuranyl)-2-methoxy-(7CI,8CI);Phenol,4-[2,3-dihydro-7-methoxy-3-methyl-5-(1-propenyl)-2-benzofuranyl]-2-methoxy- (9CI);Dehydrodiisoeugenol;Diisoeugenol, dehydro-;Isoeugenol, dehydrodi-;NSC 16743;
CAS:2680-81-1
Molecular Formula: C20H22O4
Molecular Weight: 326.3863
InChI: InChI=1/C20H22O4/c1-5-6-13-9-15-12(2)19(24-20(15)18(10-13)23-4)14-7-8-16(21)17(11-14)22-3/h5-12,19,21H,1-4H3/b6-5+
Molecular Structure: (C20H22O4) Guaiacol,4-(2,3-dihydro-7-methoxy-3-methyl-5-propenyl-2-benzofuranyl)- (6CI);Guaiacol,4-(2,3-dihydro...
Properties
Flash Point: 227.2°C
Boiling Point: 452°Cat760mmHg
Density:1.16g/cm3
Refractive index:1.596
Specification:

The Dehydrodiisoeugenol with its cas register number is 2680-81-1. It also can be called as 4-(2,3-Dihydro-7-methoxy-3-methyl-5-propenyl-2-benzofuranyl)-2-methoxyphenol and the IUPAC Name about this chemical is 2-methoxy-4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol.

Physical properties about Dehydrodiisoeugenol are: (1)ACD/LogP: 4.19; (2)#H bond acceptors: 4; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 36.92Å2; (6)Index of Refraction: 1.596; (7)Molar Refractivity: 95.7 cm3; (8)Molar Volume: 281.1 cm3; (9)Polarizability: 37.93x10-24cm3; (10)Surface Tension: 43.5 dyne/cm; (11)Enthalpy of Vaporization: 73.85 kJ/mol; (12)Vapour Pressure: 8.69E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC=CC1=CC2=C(C(=C1)OC)OC(C2C)C3=CC(=C(C=C3)O)OC
(2)Isomeric SMILES: C/C=C/C1=CC2=C(C(=C1)OC)OC(C2C)C3=CC(=C(C=C3)O)OC
(3)InChI: InChI=1S/C20H22O4/c1-5-6-13-9-15-12(2)19(24-20(15)18(10-13)23-4)14-7-8-16(21)17(11-14)22-3/h5-12,19,21H,1-4H3/b6-5+
(4)InChIKey: ITDOFWOJEDZPCF-AATRIKPKSA-N

Flash Point: 227.2°C
Safety Data
 

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