CAS No.25304-14-7,Herbac Suppliers

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Basic Information

Molecular Structure:
CAS No.:	25304-14-7
Name:	Herbac
Article Data:	13

Formula:	C₁₀H₁₈O
Molecular Weight:	154.252
Synonyms:	Ketone,3,3-dimethylcyclohexyl methyl (8CI);1-(3,3-Dimethylcyclohexyl)ethanone;1-Acetyl-3,3-dimethylcyclohexane;3,3-Dimethylcyclohexyl methyl ketone;Herbac;
EINECS:	246-799-1
Density:	0.875 g/cm³
Boiling Point:	202.8 °C at 760 mmHg
Flash Point:	82 °C
Appearance:	Colorless liquid
PSA:	17.07000
LogP:	2.79180

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Specification

The Herbac, with CAS registry number 25304-14-7, has the systematic name of 1-(3,3-dimethylcyclohexyl)ethanone. And its IUPAC name is the same one. The main use of this chemical is for the allocation of cosmetic flavor. This chemical can be prepared by dihydromyrcene, methanoic acid and Boron trifluoride. After cyclizing of these chemicals, hydrolyzing and the oxidation of chromium trioxide, you can get Herbac.

Physical properties of Herbac: (1)ACD/LogP: 2.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.94; (4)ACD/LogD (pH 7.4): 2.94; (5)ACD/BCF (pH 5.5): 100.17; (6)ACD/BCF (pH 7.4): 100.17; (7)ACD/KOC (pH 5.5): 941.33; (8)ACD/KOC (pH 7.4): 941.33; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.437; (14)Molar Refractivity: 46.19 cm³; (15)Molar Volume: 176.1 cm³; (16)Polarizability: 18.31×10^-24cm³; (17)Surface Tension: 26.7 dyne/cm; (18)Enthalpy of Vaporization: 43.9 kJ/mol; (19)Vapour Pressure: 0.287 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C1CC(C)(C)CCC1)C
(2)InChI: InChI=1/C10H18O/c1-8(11)9-5-4-6-10(2,3)7-9/h9H,4-7H2,1-3H3
(3)InChIKey: DXIWBWIDAYBUDF-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C10H18O/c1-8(11)9-5-4-6-10(2,3)7-9/h9H,4-7H2,1-3H3
(5)Std. InChIKey: DXIWBWIDAYBUDF-UHFFFAOYSA-N