Tetrahydrolinalool
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Tetrahydrolinalool
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CAS No:
78-69-3
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Formula:
C10H22O
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Chemical Name:
Tetrahydrolinalool
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Synonyms:
3-Octanol,3,7-dimethyl-;3,7-Dimethyl-3-octanol;2,6-Dimethyl-6-octanol;3,7-Dimethyloctan-3-ol;Linalool tetrahydride;Tetrahydrolinalool;NSC 128151;57706-88-4
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CAS No:
Description
Tetrahydrolinalool is a constituent of honey aroma. It is a colorless liquid with a linalool-like odor that is slightly fresher but distinctly weaker than that of linalool. Tetrahydrolinalool is prepared by catalytic hydrogenation of linalool and is used as a substitute for the less stable linalool in perfuming aggressive media. Tetrahydrolinalool has a sweet, oily, floral odor (more so than linalool) with a citrus floral taste. Clear colorless liquid
Liquid|colourless liquid with a distinct floral odour
3,7-dimethyl-3-octanol is a fatty alcohol that is 3-octanol substituted by methyl groups at positions 3 and 7. Metabolite observed in cancer metabolism. It has a role as a human metabolite. It is a fatty alcohol, an alkyl alcohol and a tertiary alcohol.
Characteristics
20.2
3.3
Clear colorless Liquid
0.8341 g/cm3 @ Temp: 15 °C
-1.53°C (estimate)
88.5-89 °C @ Press: 14 Torr
169 °F
1.434
soluble in alcohol, most fixed oils; insoluble in water
Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.
Safety Information
I; II; III
NA 1993 / PGIII
1
36/37/38-36/38
26-36-37/39
RH0905000
Xi
P210, P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, P501
H227
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P332+P313, P333+P313, P337+P313, P362, P363, and P501|Aggregated GHS information provided by 1799 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H227: Combustible liquid [Warning Flammable liquids]|P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|P210, P261, P264, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P313, P333+P313, P337+P313, P362, P363, P370+P378, P403+P235, and P501
Tetrahydrolinalool Use and Manufacturing
It is formed by hydrogenation of dl-linalool under platinum catalysis. It is compounded by ethyl magnesium bromide and isoamyl ketone. 2, 6-Dimethyl-2-octene-6-ol is hydrogenated at 100°C under nickel catalysis.
Commonly used as a blending raw material for various artificial essential oils
Fragrance Ingredients
Air care products
1,000,000 - 10,000,000 lb
All other chemical product and preparation manufacturing|3-Octanol, 3,7-dimethyl-: ACTIVE
EPA Safer Chemical Functional Use Classes -> Fragrances|Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class, but has some hazard profile issues|Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:158.28
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:158.167065321
Monoisotopic Mass:158.167065321
Topological Polar Surface Area:20.2
Heavy Atom Count:11
Complexity:99
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Price Analysis
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