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68959-28-4

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Basic Information
CAS No.: 68959-28-4
Name: JASMOLACTONE
Molecular Structure:
Molecular Structure of 68959-28-4 (JASMOLACTONE)
Formula: C11H18O2
Molecular Weight: 182.26
Synonyms: 2H-Pyran-2-one,6-(3-hexenyl)tetrahydro-, (Z)-;2H-Pyran-2-one, 6-(3Z)-3-hexenyltetrahydro-(9CI);(Z)-6-(3-Hexenyl)tetrahydro-2H-pyran-2-on;Jasmolactone extra C;5-Hydroxy-8-undecenoic acid lactone;
EINECS: 273-411-8
Density: 0.953 g/cm3
Boiling Point: 297.5 °C at 760 mmHg
Flash Point: 120.9 °C
PSA: 26.30000
LogP: 2.82850
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Specification

The CAS register number of 2H-Pyran-2-one,6-(3Z)-3-hexen-1-yltetrahydro- is 68959-28-4. It also can be called as 5-Hydroxy-8-undecenoic acid lactone and the systematic name about this chemical is 6-[(3Z)-hex-3-en-1-yl]tetrahydro-2H-pyran-2-one. The molecular formula about this chemical is C11H18O2 and the molecular weight is 182.26.

Physical properties about 2H-Pyran-2-one,6-(3Z)-3-hexen-1-yltetrahydro- are: (1)ACD/LogP: 2.50; (2)ACD/LogD (pH 5.5): 2.5; (3)ACD/LogD (pH 7.4): 2.5; (4)ACD/BCF (pH 5.5): 46.64; (5)ACD/BCF (pH 7.4): 46.64; (6)ACD/KOC (pH 5.5): 544.6; (7)ACD/KOC (pH 7.4): 544.6; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 26.3 Å2; (11)Index of Refraction: 1.463; (12)Molar Refractivity: 52.71 cm3; (13)Molar Volume: 191.2 cm3; (14)Polarizability: 20.89x10-24cm3; (15)Surface Tension: 31.2 dyne/cm; (16)Density: 0.953 g/cm3; (17)Flash Point: 120.9 °C; (18)Enthalpy of Vaporization: 53.73 kJ/mol; (19)Boiling Point: 297.5 °C at 760 mmHg; (20)Vapour Pressure: 0.00134 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCCC(CC\C=C/CC)O1
(2)InChI: InChI=1/C11H18O2/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h3-4,10H,2,5-9H2,1H3/b4-3-
(3)InChIKey: UJHDFCVFLRPEJQ-ARJAWSKDBH
(4)Std. InChI: InChI=1S/C11H18O2/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h3-4,10H,2,5-9H2,1H3/b4-3-
(5)Std. InChIKey: UJHDFCVFLRPEJQ-ARJAWSKDSA-N