CAS No.68527-74-2,VANILLIN PROPYLENE GLYCOL ACETAL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	68527-74-2
Name:	VANILLIN PROPYLENE GLYCOL ACETAL
Article Data:	4

Formula:	C₁₁H₁₄O₄
Molecular Weight:	210.23
Synonyms:	Vanillin1,2-propylene glycol acetal;Vanillin propylene glycol acetal;
EINECS:	271-279-6
Density:	1.184 g/cm³
Boiling Point:	333.1 °C at 760 mmHg
Flash Point:	155.3 °C
PSA:	47.92000
LogP:	1.83470

Synthetic route

: 121-33-5
vanillin

: 96-24-2
3-monochloro-1,2-propanediol

: 68527-74-2
2-methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol

Conditions

Conditions	Yield
With FIBAN K-1 cation exchanger In benzene Dean-Stark; Reflux;	89%

: 57-55-6
propylene glycol

: 121-33-5
vanillin

: 68527-74-2
2-methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol

Conditions

Conditions	Yield
With Sn-TUD-1 mesoporous silicates In toluene at 115℃; Reagent/catalyst; Dean-Stark;
With Al-ITQ-SO3H In toluene at 90℃; Dean-Stark; Inert atmosphere;

: 2094-72-6
1-Adamantanecarbonyl chloride

: 68527-74-2
2-methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol

: 2-methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenyl 1-adamantanecarboxylate

Conditions

Conditions	Yield
With pyridine In benzene for 8h; Heating;	72%

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Specification

The Vanillin propyleneglycol acetal is an organic compound with the formula C₁₁H₁₄O₄. The IUPAC name of this chemical is 2-methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol. With the CAS registry number 68527-74-2, it is also named as phenol, 2-methoxy-4-(4-methyl-1,3-dioxolan-2-yl)-.

Physical properties about Vanillin propyleneglycol acetal are: (1)ACD/LogP: 1.09; (2)ACD/LogD (pH 5.5): 1.09; (3)ACD/LogD (pH 7.4): 1.09; (4)ACD/BCF (pH 5.5): 3.95; (5)ACD/BCF (pH 7.4): 3.94; (6)ACD/KOC (pH 5.5): 93.05; (7)ACD/KOC (pH 7.4): 92.68; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 36.92 Å²; (12)Index of Refraction: 1.529; (13)Molar Refractivity: 54.75 cm³; (14)Molar Volume: 177.4 cm³; (15)Polarizability: 21.7×10^-24cm³; (16)Surface Tension: 42.7 dyne/cm; (17)Density: 1.184 g/cm³; (18)Flash Point: 155.3 °C; (19)Enthalpy of Vaporization: 59.88 kJ/mol; (20)Boiling Point: 333.1 °C at 760 mmHg; (21)Vapour Pressure: 7.21E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O1C(COC1c2cc(OC)c(O)cc2)C
(2)InChI: InChI=1/C11H14O4/c1-7-6-14-11(15-7)8-3-4-9(12)10(5-8)13-2/h3-5,7,11-12H,6H2,1-2H3
(3)InChIKey: RFGCVZIIIHRESZ-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C11H14O4/c1-7-6-14-11(15-7)8-3-4-9(12)10(5-8)13-2/h3-5,7,11-12H,6H2,1-2H3
(5)Std. InChIKey: RFGCVZIIIHRESZ-UHFFFAOYSA-N