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CAS No.: | 76238-22-7 |
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Name: | ACETIC ACID CIS-6-NONEN-1-YL ESTER |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C11H20O2 |
Molecular Weight: | 184.279 |
Synonyms: | cis-6-Nonen-1-yl acetate; |
EINECS: | 278-397-7 |
Density: | 0.889 g/cm3 |
Boiling Point: | 245.7 °C at 760 mmHg |
Flash Point: | 89.3 °C |
PSA: | 26.30000 |
LogP: | 3.07610 |
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The 6-Nonen-1-ol,1-acetate, (6Z)-, with the CAS registry number of 76238-22-7, is also known as cis-6-Nonen-1-yl acetate. Its EINECS registry number is 278-397-7. This chemical's molecular formula is C11H20O2 and molecular weight is 184.28. What's more, its IUPAC name is [(Z)-Non-6-enyl] acetate. This chemical's classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. In addition, it must be stored in airtight containers and placed in a dry, cool place. Besides, it should be avoided contact with oxidant.
Physical properties about the 6-Nonen-1-ol,1-acetate, (6Z)- are: (1)ACD/LogP: 3.91; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.442; (8)Molar Refractivity: 54.84 cm3; (9)Molar Volume: 207.2 cm3; (10)Surface Tension: 29.2 dyne/cm; (11)Density: 0.889 g/cm3; (12)Flash Point: 89.3 °C; (13)Enthalpy of Vaporization: 48.28 kJ/mol; (14)Boiling Point: 245.7 °C at 760 mmHg; (15)Vapour Pressure: 0.0283 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCCCCC/C=C\CC)C
(2) InChI: InChI=1/C11H20O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h4-5H,3,6-10H2,1-2H3/b5-4-
(3) InChIKey: DFRXMRZQBMFKMI-PLNGDYQABQ