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56805-23-3

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Basic Information
CAS No.: 56805-23-3
Name: TRANS,CIS-3,6-NONADIEN-1-OL
Molecular Structure:
Molecular Structure of 56805-23-3 (TRANS,CIS-3,6-NONADIEN-1-OL)
Formula: C9H16O
Molecular Weight: 140.225
Synonyms: 3,6-Nonadien-1-ol,(E,Z)-;trans,cis-3,6-Nonadien-1-ol;
Density: 0.866 g/cm3
Boiling Point: 214.7 °C at 760 mmHg
Flash Point: 84.6 °C
Appearance: Colourless liquid; strong, fatty, green cucumber aroma
PSA: 20.23000
LogP: 2.28130
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Specification

The 3,6-Nonadien-1-ol,(3E,6Z)-, with CAS registry number 56805-23-3, belongs to the following product category: Alcohol Flavor. It has the systematic name of (3Z,6Z)-nona-3,6-dien-1-ol. Besides this, it is also called Trans,cis-3,6-nonadien-1-ol. Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. And the chemical formula of this chemical is C9H16O.

Physical properties of 3,6-Nonadien-1-ol,(3E,6Z)-: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.69; (4)ACD/LogD (pH 7.4): 2.69; (5)ACD/BCF (pH 5.5): 64.98; (6)ACD/BCF (pH 7.4): 64.98; (7)ACD/KOC (pH 5.5): 690.59; (8)ACD/KOC (pH 7.4): 690.59; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.472; (14)Molar Refractivity: 45.39 cm3; (15)Molar Volume: 161.8 cm3; (16)Polarizability: 17.99×10-24cm3; (17)Surface Tension: 30.8 dyne/cm; (18)Density: 0.866 g/cm3; (19)Flash Point: 84.6 °C; (20)Enthalpy of Vaporization: 52.46 kJ/mol; (21)Boiling Point: 214.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0336 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCC\C=C/C\C=C/CC
(2)InChI: InChI=1/C9H16O/c1-2-3-4-5-6-7-8-9-10/h3-4,6-7,10H,2,5,8-9H2,1H3/b4-3-,7-6-
(3)InChIKey: PICGPEBVZGCYBV-CWWKMNTPBC
(4)Std. InChI: InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h3-4,6-7,10H,2,5,8-9H2,1H3/b4-3-,7-6-
(5)Std. InChIKey: PICGPEBVZGCYBV-CWWKMNTPSA-N