China (Mainland)
Allyl (2-methylbutoxy)acetate CAS NO.67634-01-9
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Keywords
- Aceticacid, (2-methylbutoxy)-, 2-propenyl ester (9CI)
- Allyl (2-methylbutoxy)acetate
- Allyl (2-methylbutoxy)acetate
Quick Details
- ProName: Allyl (2-methylbutoxy)acetate
- CasNo: 67634-01-9
- Application: IUPAC name of Allyl (2-methylbutoxy)a...
- ProductionCapacity: Metric Ton/Day
- Purity: 99
- Transportation: IUPAC name of Allyl (2-methylbutoxy)a...
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Superiority
IUPAC name of Allyl (2-methylbutoxy)acetate is prop-2-enyl 2-(2-methylbutoxy)acetate. With the CAS registry number 67634-01-9, it is also named as Acetic acid, 2-(2-methylbutoxy)-, 2-propenyl ester. In addition, its molecular formula is C10H18O3 and its molecular weight is 186.25.
The other characteristics of Allyl (2-methylbutoxy)acetate can be summarized as: (1)EINECS: 266-804-0; (2)ACD/LogP: 2.84; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 2.84; (5)ACD/LogD (pH 7.4): 2.84; (6)ACD/BCF (pH 5.5): 84.91; (7)ACD/BCF (pH 7.4): 84.91; (8)ACD/KOC (pH 5.5): 836.3; (9)ACD/KOC (pH 7.4): 836.3; (10)H bond acceptors: 3; (11)H bond donors: 0; (12)Freely Rotating Bonds: 8; (13)Polar Surface Area: 35.53 Å2; (14)Index of Refraction: 1.431; (15)Molar Refractivity: 51.58 cm3; (16)Molar Volume: 198.9 cm3; (17)Polarizability: 20.44×10-24cm3; (18)Surface Tension: 28.7 dyne/cm; (19)Density: 0.936 g/cm3; (20)Flash Point: 81.1 °C; (21)Enthalpy of Vaporization: 47.64 kJ/mol; (22)Boiling Point: 239.5 °C at 760 mmHg; (23)Vapour Pressure: 0.04 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(OC\C=C)COCC(C)CC
(2)InChI:InChI=1/C10H18O3/c1-4-6-13-10(11)8-12-7-9(3)5-2/h4,9H,1,5-8H2,2-3H3
(3)InChIKey:GWFJURKHPPFFMD-UHFFFAOYAI
(4)Std. InChI:InChI=1S/C10H18O3/c1-4-6-13-10(11)8-12-7-9(3)5-2/h4,9H,1,5-8H2,2-3H3
(5)Std. InChIKey:GWFJURKHPPFFMD-UHFFFAOYSA-N
Details
IUPAC name of Allyl (2-methylbutoxy)acetate is prop-2-enyl 2-(2-methylbutoxy)acetate. With the CAS registry number 67634-01-9, it is also named as Acetic acid, 2-(2-methylbutoxy)-, 2-propenyl ester. In addition, its molecular formula is C10H18O3 and its molecular weight is 186.25.
The other characteristics of Allyl (2-methylbutoxy)acetate can be summarized as: (1)EINECS: 266-804-0; (2)ACD/LogP: 2.84; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 2.84; (5)ACD/LogD (pH 7.4): 2.84; (6)ACD/BCF (pH 5.5): 84.91; (7)ACD/BCF (pH 7.4): 84.91; (8)ACD/KOC (pH 5.5): 836.3; (9)ACD/KOC (pH 7.4): 836.3; (10)H bond acceptors: 3; (11)H bond donors: 0; (12)Freely Rotating Bonds: 8; (13)Polar Surface Area: 35.53 Å2; (14)Index of Refraction: 1.431; (15)Molar Refractivity: 51.58 cm3; (16)Molar Volume: 198.9 cm3; (17)Polarizability: 20.44×10-24cm3; (18)Surface Tension: 28.7 dyne/cm; (19)Density: 0.936 g/cm3; (20)Flash Point: 81.1 °C; (21)Enthalpy of Vaporization: 47.64 kJ/mol; (22)Boiling Point: 239.5 °C at 760 mmHg; (23)Vapour Pressure: 0.04 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(OC\C=C)COCC(C)CC
(2)InChI:InChI=1/C10H18O3/c1-4-6-13-10(11)8-12-7-9(3)5-2/h4,9H,1,5-8H2,2-3H3
(3)InChIKey:GWFJURKHPPFFMD-UHFFFAOYAI
(4)Std. InChI:InChI=1S/C10H18O3/c1-4-6-13-10(11)8-12-7-9(3)5-2/h4,9H,1,5-8H2,2-3H3
(5)Std. InChIKey:GWFJURKHPPFFMD-UHFFFAOYSA-N