Allyldiglycol CAS NO.15075-50-0

Allyldiglycol, with the CAS registry number of 15075-50-0, is also known as Dimethyleneglycolmonoallylether. It belongs to the product category of Monomer. Its EINECS registry number is 239-131-5. This chemical's molecular formula is C₇H₁₄O₃ and molecular weight is 146.18. What's more, both its systematic name and IUPAC name are the same which is called 2-(2-Prop-2-enoxyethoxy)ethanol. As a chemical, it is irritating to eyes. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

Physical properties about the Allyldiglycol are: (1)ACD/LogP: -0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.26; (4)ACD/LogD (pH 7.4): -0.26; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.22; (8)ACD/KOC (pH 7.4): 17.22; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 27.69 Å²; (13)Index of Refraction: 1.438; (14)Molar Refractivity: 39.22 cm³; (15)Molar Volume: 149.4 cm³; (16)Surface Tension: 32.1 dyne/cm; (17)Density: 0.978 g/cm³; (18)Flash Point: 82.7 °C; (19)Enthalpy of Vaporization: 52.27 kJ/mol; (20)Boiling Point: 213.1 °C at 760 mmHg; (21)Vapour Pressure: 0.0372 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of 3-Bromo-propene with 2,2'-Oxy-bis-ethanol at heating. The reaction needs reagent Copper powder and solvent Dimethylformamide. The yield is about 92 %.

Uses: it is used to produce other chemicals. For example, it is used to produce Cyano-acetic acid 2-(2-allyloxy-ethoxy)-ethyl ester at heating. This reaction needs reagents TsOH and Cyanoacetic acid. Meanwhile, it needs solvent Benzene. The yield is about 65 %.
 

You can still convert the following datas into molecular structure: 
(1) SMILES:O(C\C=C)CCOCCO 
(2) InChI:InChI=1/C7H14O3/c1-2-4-9-6-7-10-5-3-8/h2,8H,1,3-7H2 
(3) InChIKey:DIOZVWSHACHNRT-UHFFFAOYAT 

Allyldiglycol, with the CAS registry number of 15075-50-0, is also known as Dimethyleneglycolmonoallylether. It belongs to the product category of Monomer. Its EINECS registry number is 239-131-5. This chemical's molecular formula is C₇H₁₄O₃ and molecular weight is 146.18. What's more, both its systematic name and IUPAC name are the same which is called 2-(2-Prop-2-enoxyethoxy)ethanol. As a chemical, it is irritating to eyes. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

Physical properties about the Allyldiglycol are: (1)ACD/LogP: -0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.26; (4)ACD/LogD (pH 7.4): -0.26; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.22; (8)ACD/KOC (pH 7.4): 17.22; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 27.69 Å²; (13)Index of Refraction: 1.438; (14)Molar Refractivity: 39.22 cm³; (15)Molar Volume: 149.4 cm³; (16)Surface Tension: 32.1 dyne/cm; (17)Density: 0.978 g/cm³; (18)Flash Point: 82.7 °C; (19)Enthalpy of Vaporization: 52.27 kJ/mol; (20)Boiling Point: 213.1 °C at 760 mmHg; (21)Vapour Pressure: 0.0372 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of 3-Bromo-propene with 2,2'-Oxy-bis-ethanol at heating. The reaction needs reagent Copper powder and solvent Dimethylformamide. The yield is about 92 %.

Uses: it is used to produce other chemicals. For example, it is used to produce Cyano-acetic acid 2-(2-allyloxy-ethoxy)-ethyl ester at heating. This reaction needs reagents TsOH and Cyanoacetic acid. Meanwhile, it needs solvent Benzene. The yield is about 65 %.
 

You can still convert the following datas into molecular structure: 
(1) SMILES:O(C\C=C)CCOCCO 
(2) InChI:InChI=1/C7H14O3/c1-2-4-9-6-7-10-5-3-8/h2,8H,1,3-7H2 
(3) InChIKey:DIOZVWSHACHNRT-UHFFFAOYAT