1,3-Benzenedimethanol,2,5-dimethoxy- supplier

Name
2,6-BIS(HYDROXYMETHYL)-1,4-DIMETHOXYBENZENE
EINECS
CAS No. 78840-04-7
Article Data7
CAS DataBase
Density 1.2 g/cm³;
Solubility
Melting Point 109 °C
Formula C₁₀H₁₄O₄
Boiling Point 364.1 °C at 760 mmHg
Molecular Weight 198.219
Flash Point 174 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms m-Xylene-α,α'-diol, 2,5-dimethoxy- (7CI);1,3-Bis(hydroxymethyl)-2,5-dimethoxybenzene;2,6-Bis(hydroxymethyl)-1,4-dimethoxybenzene;(2,5-Dimethoxybenzene-1,3-diyl)dimethanol;
PSA 58.92000
LogP 0.68840

1,3-Benzenedimethanol,2,5-dimethoxy- Specification

The 1,3-Benzenedimethanol,2,5-dimethoxy-, with the CAS registry number 78840-04-7, is also known as 2,6-Bis(hydroxymethyl)-1,4-dimethoxybenzene. This chemical's molecular formula is C₁₀H₁₄O₄ and molecular weight is 198.22. What's more, its systematic name is (2,5-Dimethoxybenzene-1,3-diyl)dimethanol. The product is stable at common pressure and temperature and it should be sealed and stored in containers which are placed in cool, ventilated and dry places. What's more, it should be protected from fire.

Physical properties of 1,3-Benzenedimethanol,2,5-dimethoxy- are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 17.02; (5)ACD/KOC (pH 7.4): 17.02; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 6; (9)Polar Surface Area: 58.92 Å²; (10)Index of Refraction: 1.549; (11)Molar Refractivity: 52.51 cm³; (12)Molar Volume: 165 cm³; (13)Polarizability: 20.81×10^-24cm³; (14)Surface Tension: 45 dyne/cm; (15)Density: 1.2 g/cm³; (16)Flash Point: 174 °C; (17)Enthalpy of Vaporization: 64.38 kJ/mol; (18)Boiling Point: 364.1 °C at 760 mmHg; (19)Vapour Pressure: 6.12E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1c(cc(cc1CO)OC)CO
(2)InChI: InChI=1S/C10H14O4/c1-13-9-3-7(5-11)10(14-2)8(4-9)6-12/h3-4,11-12H,5-6H2,1-2H3
(3)InChIKey: AEZFHUSCRNLFCA-UHFFFAOYSA-N

Product Name

2,6-BIS(HYDROXYMETHYL)-1,4-DIMETHOXYBENZENE

1,3-Benzenedimethanol,2,5-dimethoxy- Specification

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