Cyclopenta[g]-2-benzopyran,1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethyl- (1222-05-5)

The Galoxolide, with its CAS registry number 1222-05-5,has the IUPAC name of 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene. As to its production method, you could firstly prepare the raw material of hexamethylhydrindeneol and the formaldehyde, and then go through the process of chloromethylate and ring-closure reaction with chloromethane to obtain the product. When comes to its usage, it is usually applied in producing essence of high class cosmetic and perfume compound for soap.

The characteristics of Galoxolide are as follows: (1)ACD/LogP: 6.23; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.23; (4)ACD/LogD (pH 7.4): 6.23; (5)ACD/BCF (pH 5.5): 32064.7; (6)ACD/BCF (pH 7.4): 32064.7; (7)ACD/KOC (pH 5.5): 58478.84; (8)ACD/KOC (pH 7.4): 58478.84; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 9.23; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 80.26 cm³; (15)Molar Volume: 273.2 cm³; (16)Polarizability: 31.81×10^-24 cm³; (17)Surface Tension: 31.8 dyne/cm; (18)Density: 0.945 g/cm³; (19)Flash Point: 146.1 °C; (20)Enthalpy of Vaporization: 54.59 kJ/mol; (21)Boiling Point: 326.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000414 mmHg at 25°C; (23)Exact Mass: 258.198365; (24)MonoIsotopic Mass: 258.198365; (25)Topological Polar Surface Area: 9.2; (26)Heavy Atom Count: 19; (27)Complexity: 357.

When you are using this chemical, you should be more careful. This is irritating to skin and then may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing. And if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

What's more, the following datas could be converted into the molecular structure:
(1)Canonical SMILES: CC1COCC2=CC3=C(C=C12)C(C(C3(C)C)C)(C)C
(2)InChI: InChI=1S/C18H26O/c1-11-9-19-10-13-7-15-16(8-14(11)13)18(5,6)12(2)17(15,3)4/h7-8,11-12H,9-10H2,1-6H3
(3)InChIKey: ONKNPOPIGWHAQC-UHFFFAOYSA-N 

Below are the toxicity information of this chemical:

The Galoxolide, with its CAS registry number 1222-05-5,has the IUPAC name of 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene. As to its production method, you could firstly prepare the raw material of hexamethylhydrindeneol and the formaldehyde, and then go through the process of chloromethylate and ring-closure reaction with chloromethane to obtain the product. When comes to its usage, it is usually applied in producing essence of high class cosmetic and perfume compound for soap.

The characteristics of Galoxolide are as follows: (1)ACD/LogP: 6.23; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.23; (4)ACD/LogD (pH 7.4): 6.23; (5)ACD/BCF (pH 5.5): 32064.7; (6)ACD/BCF (pH 7.4): 32064.7; (7)ACD/KOC (pH 5.5): 58478.84; (8)ACD/KOC (pH 7.4): 58478.84; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 9.23; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 80.26 cm³; (15)Molar Volume: 273.2 cm³; (16)Polarizability: 31.81×10^-24 cm³; (17)Surface Tension: 31.8 dyne/cm; (18)Density: 0.945 g/cm³; (19)Flash Point: 146.1 °C; (20)Enthalpy of Vaporization: 54.59 kJ/mol; (21)Boiling Point: 326.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000414 mmHg at 25°C; (23)Exact Mass: 258.198365; (24)MonoIsotopic Mass: 258.198365; (25)Topological Polar Surface Area: 9.2; (26)Heavy Atom Count: 19; (27)Complexity: 357.

When you are using this chemical, you should be more careful. This is irritating to skin and then may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing. And if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

What's more, the following datas could be converted into the molecular structure:
(1)Canonical SMILES: CC1COCC2=CC3=C(C=C12)C(C(C3(C)C)C)(C)C
(2)InChI: InChI=1S/C18H26O/c1-11-9-19-10-13-7-15-16(8-14(11)13)18(5,6)12(2)17(15,3)4/h7-8,11-12H,9-10H2,1-6H3
(3)InChIKey: ONKNPOPIGWHAQC-UHFFFAOYSA-N 

Below are the toxicity information of this chemical: