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6307-25-1

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Basic Information
CAS No.: 6307-25-1
Name: 5,7,8-trimethyltetralin-1-one
Molecular Structure:
Molecular Structure of 6307-25-1 (5,7,8-trimethyltetralin-1-one)
Formula: C13H16O
Molecular Weight: 188.269
Synonyms: 1(2H)Naphthalenone,3,4-dihydro-5,7,8-trimethyl- (7CI);NSC 41304;5,7,8-trimethyltetralin-1-one;
Density: 1.036 g/cm3
Boiling Point: 337.9 °C at 760 mmHg
Flash Point: 146.4 °C
PSA: 17.07000
LogP: 3.13080
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Specification

The CAS register number of 1(2H)-Naphthalenone,3,4-dihydro-5,7,8-trimethyl- is 6307-25-1. It also can be called as 5,7,8-trimethyltetralin-1-one and the systematic name about this chemical is 5,7,8-trimethyl-3,4-dihydronaphthalen-1(2H)-one. The molecular formula about this chemical is C13H16O and the molecular weight is 188.12.

Physical properties about 1(2H)-Naphthalenone,3,4-dihydro-5,7,8-trimethyl- are: (1)ACD/LogP: 3.99; (2)#H bond acceptors: 1; (3)Polar Surface Area: 17.07 Å2; (4)Index of Refraction: 1.547; (5)Molar Refractivity: 57.64 cm3; (6)Molar Volume: 181.5 cm3; (7)Polarizability: 22.85x10-24cm3; (8)Surface Tension: 38.5 dyne/cm; (9)Density: 1.036 g/cm3; (10)Flash Point: 146.4 °C; (11)Enthalpy of Vaporization: 58.12 kJ/mol; (12)Boiling Point: 337.9 °C at 760 mmHg; (13)Vapour Pressure: 0.000101 mmHg at 25 °C.

Preparation: this chemical can be prepared by 4-(2,4,5-trimethyl-phenyl)-butyric acid. This reaction will need reagent of aqueous H2SO4.

1(2H)-Naphthalenone,3,4-dihydro-5,7,8-trimethyl- can be prepared by 4-(2,4,5-trimethyl-phenyl)-butyric acid.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1c(c(cc(c1CCC2)C)C)C
(2)Std. InChI: InChI=1S/C13H16O/c1-8-7-9(2)11-5-4-6-12(14)13(11)10(8)3/h7H,4-6H2,1-3H3
(3)Std. InChIKey: ZPBXTYWAPYEQEH-UHFFFAOYSA-N