CAS No.5888-52-8,1,2-DIMETHOXY-4-N-PROPYLBENZENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5888-52-8
Name:	1,2-DIMETHOXY-4-N-PROPYLBENZENE
Article Data:	46

Formula:	C₁₁H₁₆O₂
Molecular Weight:	180.247
Synonyms:	4-Propylveratrole;1,2-Dimethoxy-4-propylbenzene;3,4-Dimethoxypropylbenzene;Veratrole, 4-propyl-;
Density:	0.965 g/cm³
Boiling Point:	245.3 °C at 760 mmHg
Flash Point:	85.9 °C
PSA:	18.46000
LogP:	2.65630

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Specification

The Benzene,1,2-dimethoxy-4-propyl-, with the CAS registry number 5888-52-8, is also known as 4-Propylveratrole. This chemical's molecular formula is C₁₁H₁₆O₂ and molecular weight is 180.24. What's more, its IUPAC name is 1,2-dimethoxy-4-propylbenzene. Its classification code is Drug / Therapeutic Agent.

Physical properties of Benzene,1,2-dimethoxy-4-propyl- are: (1)ACD/LogP: 3.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.48; (4)ACD/LogD (pH 7.4): 3.48; (5)ACD/BCF (pH 5.5): 259.05; (6)ACD/BCF (pH 7.4): 259.05; (7)ACD/KOC (pH 5.5): 1858.24; (8)ACD/KOC (pH 7.4): 1858.24; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 53.79 cm³; (15)Molar Volume: 186.7 cm³; (16)Polarizability: 21.32×10^-24cm³; (17)Surface Tension: 29.9 dyne/cm; (18)Density: 0.965 g/cm³; (19)Flash Point: 85.9 °C; (20)Enthalpy of Vaporization: 46.28 kJ/mol; (21)Boiling Point: 245.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0453 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-allyl-1,2-dimethoxy-benzene at the ambient temperature. This reaction will need reagent H₂ and solvent ethanol. This reaction will also need catalyst 5 percent Pd/C. The yield is about 99%.

Benzene,1,2-dimethoxy-4-propyl- can be prepared by 4-allyl-1,2-dimethoxy-benzene at the ambient temperature

Uses of Benzene,1,2-dimethoxy-4-propyl-: it can be used to produce 1,2-dimethoxy-4-trans-propenyl-benzene at the temperature of 20°C. It will need reagents 2,3-dichloro-5,6-dicyano-1,4-benzoquinone, silica gel and solvent dioxane. The yield is about 63%.

Benzene,1,2-dimethoxy-4-propyl- can be used to produce 1,2-dimethoxy-4-trans-propenyl-benzene at the temperature of 20°C

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc(cc1OC)CCC)C
(2)Std. InChI: InChI=1S/C11H16O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h6-8H,4-5H2,1-3H3
(3)Std. InChIKey: YXLFQKUIZVSIEP-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	1250mg/kg (1250mg/kg)		Annales Pharmaceutiques Francaises. Vol. 18, Pg. 601, 1960. Link to PubMed