-
Name
1-(2,3-Dihydro-1,4-benzodioxin-2-yl)ethan-1-one
- EINECS 213-783-0
- CAS No. 1011-48-9
- Article Data6
- CAS DataBase
- Density 1.191 g/cm3
- Solubility
- Melting Point
- Formula C10H10O3
- Boiling Point 280.974 °C at 760 mmHg
- Molecular Weight 178.188
- Flash Point 114.466 °C
- Transport Information
- Appearance white
- Safety
- Risk Codes 22
-
Molecular Structure
- Hazard Symbols Xn
- Synonyms Ketone,1,4-benzodioxan-2-yl methyl (7CI,8CI);1-(2,3-Dihydrobenzo[1,4]dioxin-2-yl)ethanone;2-Acetyl-1,4-benzodioxan;2-Acetyl-1,4-benzodioxane;
- PSA 35.53000
- LogP 1.41540
1-(2,3-Dihydro-1,4-benzodioxin-2-yl)ethan-1-one Specification
This chemical is called 1-(2,3-Dihydro-1,4-benzodioxin-2-yl)ethan-1-one, and it can also be named as Ethanone, 1-(2,3-dihydro-1,4-benzodioxin-2-yl)-. With the molecular formula of C10H10O3, its molecular weight is 178.18. The CAS registry number of this chemical is 1011-48-9, and its product category is API Intermediates.
Other characteristics of the 1-(2,3-Dihydro-1,4-benzodioxin-2-yl)ethan-1-one can be summarised as followings: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.13; (4)ACD/LogD (pH 7.4): 1.13; (5)ACD/BCF (pH 5.5): 4.28; (6)ACD/BCF (pH 7.4): 4.28; (7)ACD/KOC (pH 5.5): 98.53; (8)ACD/KOC (pH 7.4): 98.53; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 46.23 cm3; (15)Molar Volume: 149.5 cm3; (16)Polarizability: 18.32×10-24cm3; (17)Surface Tension: 40 dyne/cm; (18)Density: 1.191 g/cm3; (19)Flash Point: 114.5 °C; (20)Enthalpy of Vaporization: 51.97 kJ/mol; (21)Boiling Point: 281 °C at 760 mmHg; (22)Vapour Pressure: 0.00366 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(C1Oc2c(OC1)cccc2)C
2.InChI: InChI=1/C10H10O3/c1-7(11)10-6-12-8-4-2-3-5-9(8)13-10/h2-5,10H,6H2,1H3
3.InChIKey: KVCWAZWJLMNADA-UHFFFAOYAF
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