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2500-83-6

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Basic Information
CAS No.: 2500-83-6
Name: TRICYCLODECENYL ACETATE
Article Data: 9
Molecular Structure:
Molecular Structure of 2500-83-6 (TRICYCLODECENYL ACETATE)
Formula: C12H16O2
Molecular Weight: 192.258
Synonyms: 4,7-Methano-1H-inden-5-ol,3a,4,5,6,7,7a-hexahydro-, acetate (9CI);4,7-Methanoinden-5-ol, 3a,4,5,6,7,7a-hexahydro-,acetate (6CI,8CI);NSC 142428;NSC 94573;
EINECS: 219-700-4
Density: 1.12 g/cm3
Boiling Point: 258.4 °C at 760 mmHg
Flash Point: 101.8 °C
Appearance: Clear to amber liquid
PSA: 26.30000
LogP: 2.15020
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Specification

The 4,7-Methano-1H-inden-5-ol,3a,4,5,6,7,7a-hexahydro-, 5-acetate is an organic compound with the formula C12H16O2. The systematic name of this chemical is 3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-5-yl acetate. With the CAS registry number 2500-83-6, it is also named as 4,7-Methano-1H-inden-5-ol, 3a,4,5,6,7,7a-hexahydro-, acetate.

Physical properties about 4,7-Methano-1H-inden-5-ol,3a,4,5,6,7,7a-hexahydro-, 5-acetate are: (1)ACD/LogP: 2.58; (2)ACD/LogD (pH 5.5): 2.58; (3)ACD/LogD (pH 7.4): 2.58; (4)ACD/BCF (pH 5.5): 54; (5)ACD/BCF (pH 7.4): 54; (6)ACD/KOC (pH 5.5): 604.83; (7)ACD/KOC (pH 7.4): 604.83; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 26.3 Å2; (11)Index of Refraction: 1.536; (12)Molar Refractivity: 53.13 cm3; (13)Molar Volume: 170.2 cm3; (14)Polarizability: 21.06×10-24cm3; (15)Surface Tension: 38.8 dyne/cm; (16)Density: 1.12 g/cm3; (17)Flash Point: 101.8 °C; (18)Enthalpy of Vaporization: 49.6 kJ/mol; (19)Boiling Point: 258.4 °C at 760 mmHg; (20)Vapour Pressure: 0.0137 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC3CC1CC3C2\C=C/CC12)C
(2)InChI: InChI=1/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2,4,8-12H,3,5-6H2,1H3
(3)InChIKey: BJLRAKFWOUAROE-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2,4,8-12H,3,5-6H2,1H3
(5)Std. InChIKey: BJLRAKFWOUAROE-UHFFFAOYSA-N