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2612-56-8

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Basic Information
CAS No.: 2612-56-8
Name: 3 4-DIETHOXYTOLUENE 96
Article Data: 9
Molecular Structure:
Molecular Structure of 2612-56-8 (3 4-DIETHOXYTOLUENE 96)
Formula: C11H16O2
Molecular Weight: 180.247
Synonyms: 3,4-Diethoxytoluene;
EINECS: 220-039-9
Density: 0.965 g/cm3
Boiling Point: 247.5 °C at 760 mmHg
Flash Point: 87.4 °C
Hazard Symbols: HarmfulXn
Risk Codes: 22-41
Safety: 26-36/39
PSA: 18.46000
LogP: 2.79240
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Specification

The Benzene,1,2-diethoxy-4-methyl-, with the CAS registry number 2612-56-8, is also known as 3,4-Diethoxytoluene. It belongs to the product categories of Ethers; Organic Building Blocks; Oxygen Compounds. Its EINECS number is 220-039-9. This chemical's molecular formula is C11H16O2 and molecular weight is 180.25. What's more, its systematic name is 1,2-diethoxy-4-methylbenzene.

Physical properties of Benzene,1,2-diethoxy-4-methyl- 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: 1.486; (14)Molar Refractivity: 53.7 cm3; (15)Molar Volume: 186.7 cm3; (16)Polarizability: 21.28×10-24cm3; (17)Surface Tension: 30.2 dyne/cm; (18)Density: 0.965 g/cm3; (19)Flash Point: 87.4 °C; (20)Enthalpy of Vaporization: 46.5 kJ/mol; (21)Boiling Point: 247.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0402 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful if swallowed. What's more, the product may cause serious damage to eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1cc(ccc1OCC)C)CC
(2)Std. InChI: InChI=1S/C11H16O2/c1-4-12-10-7-6-9(3)8-11(10)13-5-2/h6-8H,4-5H2,1-3H3
(3)Std. InChIKey: ABJOFFUIJZDZBE-UHFFFAOYSA-N