Herbac supplier | CasNO.25304-14-7

Name
Herbac
EINECS 246-799-1
CAS No. 25304-14-7
Article Data13
CAS DataBase
Density 0.875 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₈O
Boiling Point 202.8 °C at 760 mmHg
Molecular Weight 154.252
Flash Point 82 °C
Transport Information
Appearance Colorless liquid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ketone,3,3-dimethylcyclohexyl methyl (8CI);1-(3,3-Dimethylcyclohexyl)ethanone;1-Acetyl-3,3-dimethylcyclohexane;3,3-Dimethylcyclohexyl methyl ketone;Herbac;
PSA 17.07000
LogP 2.79180

Herbac 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

Product Name

Herbac

Herbac Specification

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