CAS No.104-36-9,1,4-Dibutoxybenzene Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	104-36-9
Name:	1,4-Dibutoxybenzene
Article Data:	46

Formula:	C₁₄H₂₂O₂
Molecular Weight:	222.327
Synonyms:	Benzene,p-dibutoxy- (6CI,8CI);1,4-Bis(butoxy)benzene;Hydroquinone dibutyl ether;NSC 2754;NSC 404303;p-Dibutoxybenzene;
EINECS:	203-196-8
Density:	0.94 g/cm³
Melting Point:	45 °C
Boiling Point:	310.586 °C at 760 mmHg
Flash Point:	110.791 °C
PSA:	18.46000
LogP:	4.04440

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Specification

The Benzene, 1,4-dibutoxy- is an organic compound with the formula C₁₄H₂₂O₂. The systematic name of this chemical is 1,4-dibutoxybenzene. With the CAS registry number 104-36-9, it is also named as p-Dibutoxybenzene. In addition, the molecular weight is 222.32.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 5.29; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.29; (4)ACD/LogD (pH 7.4): 5.29; (5)ACD/BCF (pH 5.5): 6140.63; (6)ACD/BCF (pH 7.4): 6140.63; (7)ACD/KOC (pH 5.5): 17914.07; (8)ACD/KOC (pH 7.4): 17914.07; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.481; (14)Molar Refractivity: 67.4 cm³; (15)Molar Volume: 236.4 cm³; (16)Polarizability: 26.72×10^-24 cm³; (17)Surface Tension: 31.2 dyne/cm; (18)Density: 0.94 g/cm³; (19)Flash Point: 110.8 °C; (20)Enthalpy of Vaporization: 52.94 kJ/mol; (21)Boiling Point: 310.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00109 mmHg at 25°C.

Preparation of Benzene, 1,4-dibutoxy-: It can be obtained by benzene-1,4-diol and 1-iodo-butane. This reaction needs reagent NaOEt and solvent ethanol by heating. The reaction time is 24 hours. The yield is 61%.

Uses of Benzene, 1,4-dibutoxy-: It can react with formaldehyde to get 1,4-bis-bromomethyl-2,5-dibutoxy-benzene. This reaction which is a kind of substitution needs reagent HBr (in AcOH) by sonication. The reaction time is 3.5 hours. The yield is 95%.

People can use the following data to convert to the molecule structure.
1. SMILES:O(c1ccc(OCCCC)cc1)CCCC
2. InChI:InChI=1/C14H22O2/c1-3-5-11-15-13-7-9-14(10-8-13)16-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
3. InChIKey:ZROGCHDPRZRKTI-UHFFFAOYAY