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61789-42-2

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Basic Information
CAS No.: 61789-42-2
Name: CEDRYL ACETATE
Molecular Structure:
Molecular Structure of 61789-42-2 (CEDRYL ACETATE)
Formula: C17H28O2
Molecular Weight: 246.39
Synonyms: Cedarwoodacetate;
EINECS: 201-036-1
Density: 1.02 g/cm3
Melting Point: 44-46 °C
Boiling Point: 291.7 °C at 760 mmHg
Flash Point: 137 °C
PSA: 26.30000
LogP: 4.18060
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Specification

The Oils, cedarwood,acetylated, with CAS registry number 61789-42-2, has the systematic name of cedran-8-yl acetate. Besides this, it is also called Cedarwood acetate. Its classification code is TSCA UVCB. This chemical should be stored at the temperature of 2-8°C. And the chemical formula of this chemical is C17H28O2.

Physical properties of Oils, cedarwood,acetylated: (1)ACD/LogP: 5.67; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.503; (8)Molar Refractivity: 76.44 cm3; (9)Molar Volume: 258.5 cm3; (10)Polarizability: 30.3×10-24cm3; (11)Surface Tension: 35.3 dyne/cm; (12)Density: 1.02 g/cm3; (13)Flash Point: 137 °C; (14)Enthalpy of Vaporization: 53.11 kJ/mol; (15)Boiling Point: 291.7 °C at 760 mmHg; (16)Vapour Pressure: 0.00192 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC3(CCC12C(CCC1C(C3C2)(C)C)C)C)C
(2)InChI: InChI=1/C17H28O2/c1-11-6-7-13-15(3,4)14-10-17(11,13)9-8-16(14,5)19-12(2)18/h11,13-14H,6-10H2,1-5H3
(3)InChIKey: HQKQRXZEXPXXIG-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C17H28O2/c1-11-6-7-13-15(3,4)14-10-17(11,13)9-8-16(14,5)19-12(2)18/h11,13-14H,6-10H2,1-5H3
(5)Std. InChIKey: HQKQRXZEXPXXIG-UHFFFAOYSA-N