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| CAS No.: | 1322-17-4 |
|---|---|
| Name: | 1,3-Nonanediol acetate |
| Molecular Structure: | |
 |
|
| Formula: | C11H22O3 |
| Molecular Weight: | 202.2906 |
| Synonyms: | Nonane-1,3-diolmonoacetate |
| EINECS: | 215-332-3 |
| Density: | 0.956 g/cm3 |
| Boiling Point: | 249.6 °C at 760 mmHg |
| Flash Point: | 88.9 °C |
| Appearance: | colourless to pale yellow clear liquid |
| PSA: | 46.53000 |
| LogP: | 2.27090 |
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Specification
The 1,3-Nonanediol, 1-acetate, with the CAS registry number 1322-17-4, is also known as 1,3-Nonanediol acetate. It belongs to the product categories of Alphabetical Listings; Flavors and Fragrances; M-N. Its EINECS registry number is 215-332-3. This chemical's molecular formula is C11H22O3 and molecular weight is 202.2906. What's more, its systematic name is 3-Hydroxynonyl acetate.
Physical properties about 1,3-Nonanediol, 1-acetate are: (1)ACD/LogP: 2.77; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 10; (6)Polar Surface Area: 35.53 Å2; (7)Index of Refraction: 1.444; (8)Molar Refractivity: 56.27 cm3; (9)Molar Volume: 211.4 cm3; (10)Polarizability: 22.31×10-24 cm3 ; (11)Surface Tension: 33.4 dyne/cm; (12)Density: 0.956 g/cm3; (13)Flash Point: 88.9 °C; (14)Enthalpy of Vaporization: 56.57 kJ/mol; (15)Boiling Point: 249.6 °C at 760 mmHg; (16)Vapour Pressure: 0.00362 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCCC(O)CCCCCC)C
(2) InChI: InChI=1/C11H22O3/c1-3-4-5-6-7-11(13)8-9-14-10(2)12/h11,13H,3-9H2,1-2H3
(3) InChIKey: RTYFAKSWXDNPPU-UHFFFAOYAL