Benzene,1-butyl-4-(diethoxymethyl)- supplier

Name
4-BUTYLBENZALDEHYDE DIETHYL ACETAL
EINECS 280-899-6
CAS No. 83803-80-9
Density 0.941 g/cm³
Solubility
Melting Point
Formula C₁₅H₂₄O₂
Boiling Point 293.4 °C at 760 mmHg
Molecular Weight 236.354
Flash Point 94.4 °C
Transport Information
Appearance Clear colourless liquid
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-butyl-4-(diethoxymethyl)benzene;benzene, 1-butyl-4-(diethoxymethyl)-;1-Butyl-4-(diethoxymethyl)benzene;4-Butylbenzaldehyde Diethyl Acetal;4-Butyl-α,α-diethoxytoluene;
PSA 18.46000
LogP 4.10080

Benzene,1-butyl-4-(diethoxymethyl)- Specification

The Benzene,1-butyl-4-(diethoxymethyl)-, with the CAS registry number 83803-80-9 and EINECS registry number 280-899-6, has the systematic name and IUPAC name of 1-butyl-4-(diethoxymethyl)benzene. It is a kind of clear colourless liquid, and the molecular formula of the chemical is C₁₅H₂₄O₂. What's more, while dealing with this chemical, you should avoid contacting with skin and eyes.

The characteristics of Benzene,1-butyl-4-(diethoxymethyl)- are as followings: (1)ACD/LogP: 5.35; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.35; (4)ACD/LogD (pH 7.4): 5.35; (5)ACD/BCF (pH 5.5): 6896.41; (6)ACD/BCF (pH 7.4): 6896.41; (7)ACD/KOC (pH 5.5): 19466.04; (8)ACD/KOC (pH 7.4): 19466.04; (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: 1.485; (14)Molar Refractivity: 72 cm³; (15)Molar Volume: 251 cm³; (16)Polarizability: 28.54×10^-24cm³; (17)Surface Tension: 32 dyne/cm; (18)Density: 0.941 g/cm³; (19)Flash Point: 94.4 °C; (20)Enthalpy of Vaporization: 51.17 kJ/mol; (21)Boiling Point: 293.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00302 mmHg at 25°C.

Uses of Benzene,1-butyl-4-(diethoxymethyl)-: It can be used to produce 4-butyl-benzaldehyde. This reaction will need reagent methanol, H₂O, and dimethylsulfoxide. The reaction time is 5 hours with heating, and the yield is about 99.1%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O(CC)C(OCC)c1ccc(cc1)CCCC
(2)InChI: InChI=1/C15H24O2/c1-4-7-8-13-9-11-14(12-10-13)15(16-5-2)17-6-3/h9-12,15H,4-8H2,1-3H3
(3)InChIKey: VZIJDIWCWDYVFM-UHFFFAOYAE

Product Name

4-BUTYLBENZALDEHYDE DIETHYL ACETAL

Benzene,1-butyl-4-(diethoxymethyl)- Specification

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