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| | 3,5,5-Trimethyl-1-hexanol Basic information |
| | 3,5,5-Trimethyl-1-hexanol Chemical Properties |
| Melting point | 6.15°C (estimate) | | Boiling point | 193-194 °C (lit.) | | density | 0.824 g/mL at 25 °C (lit.) | | vapor pressure | 2hPa at 20℃ | | refractive index | n20/D 1.432(lit.) | | FEMA | 3324 | 3,5,5-TRIMETHYL-1-HEXANOL | | Fp | 178 °F | | storage temp. | Sealed in dry,Room Temperature | | form | clear liquid | | pka | 15.13±0.10(Predicted) | | color | Colorless to Almost colorless | | Odor | at 10.00 % in dipropylene glycol. grassy green weedy floral earthy aldehydic hay straw leaf | | Odor Type | green | | biological source | synthetic | | Water Solubility | 450.1mg/L(20 ºC) | | JECFA Number | 268 | | Henry's Law Constant | 4.1×10-2 mol/(m3Pa) at 25℃, Yaws (2003) | | Cosmetics Ingredients Functions | SOLVENT
FRAGRANCE | | InChI | 1S/C9H20O/c1-8(5-6-10)7-9(2,3)4/h8,10H,5-7H2,1-4H3 | | InChIKey | BODRLKRKPXBDBN-UHFFFAOYSA-N | | SMILES | CC(CCO)CC(C)(C)C | | LogP | 3.7 at 25℃ | | CAS DataBase Reference | 3452-97-9(CAS DataBase Reference) | | NIST Chemistry Reference | 1-Hexanol, 3,5,5-trimethyl-(3452-97-9) | | EPA Substance Registry System | 3,5,5-Trimethyl-1-hexanol (3452-97-9) |
| Hazard Codes | Xn,N,Xi | | Risk Statements | 36-51/53-52/53-22-36/38 | | Safety Statements | 26-61-24/25 | | RIDADR | UN 3082 9/PG 3 | | WGK Germany | 2 | | TSCA | TSCA listed | | HazardClass | 9 | | PackingGroup | III | | HS Code | 29051990 | | Storage Class | 10 - Combustible liquids | | Hazard Classifications | Aquatic Chronic 2
Eye Irrit. 2
Skin Irrit. 2
STOT RE 2 Oral |
| | 3,5,5-Trimethyl-1-hexanol Usage And Synthesis |
| Chemical Properties | Colorless liquid. Insoluble in water. Combustible. | | Chemical Properties | 3,5,5–1-Trimethyl-1-hexanol has a strong, oily-herbaceous odor. It becomes sweet on dilution. | | Occurrence | Reported found in black currants (buds) and crab. | | Uses | 3,5,5-Trimethyl-1-hexanol can be used as a fragrance material and a flavoring agent for food. | | Uses | Synthetic lubricants, additives to lubricating
oils, wetting agent, softener in manufacture of various
plastics, disinfectants and germicides. | | Production Methods | 3,5,5-Trimethylhexanol is prepared from diisobutene by the
oxo process. This alcohol is also a minor component of
isononyl alcohol. | | Definition | ChEBI: 3,5,5-Trimethyl-1-hexanol is an aliphatic alcohol. | | Preparation | By oxo reaction of diisobutylene to the corresponding aldehyde, from which the alcohol is prepared by hydrogenation. | | Aroma threshold values | Aroma characteristics at 5.0%: green, floral, herbal, cooling, camphoreous, woody, melon and berry. | | Taste threshold values | Taste characteristics at 10 ppm: green, cooling, herbal, woody, musty, berry, melon, with minty nuances. | | General Description | 3,5,5-Trimethyl-1-hexanol is a branched chain saturated alcohol that is commonly used as a fragrance ingredient. It occurs naturally in Lycii fructus. | | Flammability and Explosibility | Not classified | | References | [1] Synthetic Communications, 2014, vol. 44, # 2, p. 280 - 288
[2] Patent: WO2004/26800, 2004, A1. Location in patent: Page 5; 6
[3] Patent: US2004/15007, 2004, A1. Location in patent: Page 5
[4] Patent: WO2006/136471, 2006, A1. Location in patent: Page/Page column 25-26 |
| | 3,5,5-Trimethyl-1-hexanol Preparation Products And Raw materials |
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