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| CAS No.: | 1222-05-5 |
|---|---|
| Name: | Galaxolide |
| Molecular Structure: | |
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|
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| Formula: | C18H26O |
| Molecular Weight: | 258.404 |
| Synonyms: | 1,3,4,6,7,8-Hexahydro-4,6,6,7,8,8-hexamethylcyclopenta[g]-2-benzopyran;1,3,4,6,7,8-Hexahydro-4,6,6,7,8,8-hexamethylcyclopenta[g]-2-benzopyrane;1,3,4,6,7,8-Hexahydro-4,6,6,8,8,8-hexamethylcyclopenta-2-benzopyran;Abbalide;Galaxolide 50;Galaxolide 50BB;Galaxolide 50IPM;Galaxolide White;HHCB;Pearlide;Cyclopenta[g]-2-benzopyran,1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethyl-; |
| EINECS: | 214-946-9 |
| Density: | 0.945 g/cm3 |
| Melting Point: | 57-58° |
| Boiling Point: | 326.3 °C at 760 mmHg |
| Flash Point: | 146.1 °C |
| Solubility: | 不溶于水，溶于乙醇和油。 |
| Appearance: | colorless clear oily liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 38 |
| Safety: | 26-36 |
| PSA: | 9.23000 |
| LogP: | 4.52520 |
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Consensus Reports
Specification
1. Introduction of Galoxolide
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.
2. Properties of Galoxolide
(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.
3. Structure Descriptors of Galoxolide
(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
4. Toxicity of Galoxolide
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD | skin | > 3250mg/kg (3250mg/kg) | Deutsche Lebensmittel - Rundschau. Vol. 94, Pg. 268, 1998. | |
| rat | LD50 | skin | > 5gm/kg (5000mg/kg) | Deutsche Lebensmittel - Rundschau. Vol. 94, Pg. 268, 1998. | |
| rat | LDLo | oral | 3250mg/kg (3250mg/kg) | Deutsche Lebensmittel - Rundschau. Vol. 94, Pg. 268, 1998. |
5. Safety Information of Galoxolide
Hazard Symbols:
XiRisk Codes:
R38:Irritating to skin.
Safety Description:
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
6. Use of Galaxolide
Galaxolide is used as synthetic fragrance in cosmetics, cleaning agents, detergents, air fresheners, perfumes. Suspected hormone disruptor. It can also prevents cells from blocking entry of toxins in animal study. Bioaccumulative.
7. Other details of Galoxolide
When you are using this galoxolide, 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.