6750-34-1

Basic information

• Product Name: 3,7,11-TRIMETHYL-1-DODECANOL
• Synonyms: 3,7,11-TRIMETHYL-1-DODECANOL;Hexa-hydro-farnesol;NISTC6750341;1-DODECANOL,3,7,11-TRIMETHYL-;3,7,11-trimethyldodecan-1-ol
• CAS NO: 6750-34-1
• Molecular Formula: C₁₅H₃₂O
• Molecular Weight: 228.41
• Mol File: 6750-34-1.mol

Chemical Properties

• Boiling Point: 279.2°C at 760 mmHg
• Flash Point: 122.7°C
• Appearance: /
• Density: 0.831g/cm³
• Vapor Pressure: 0.000495mmHg at 25°C
• Refractive Index: 1.443
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility: Chloroform (Sparingly), Methanol (Slightly)
• PKA: 15.13±0.10(Predicted)
• CAS DataBase Reference: 3,7,11-TRIMETHYL-1-DODECANOL(CAS DataBase Reference)
• NIST Chemistry Reference: 3,7,11-TRIMETHYL-1-DODECANOL(6750-34-1)
• EPA Substance Registry System: 3,7,11-TRIMETHYL-1-DODECANOL(6750-34-1)

Safety Data

• Hazardous Substances Data: 6750-34-1(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
3,7,11-TRIMETHYL-1-DODECANOL is used as a pharmaceutical candidate for cancer treatment due to its presence in cancer metabolism. It may have potential applications in developing targeted therapies or diagnostic tools for cancer detection and monitoring.
Used in Research and Development:
3,7,11-TRIMETHYL-1-DODECANOL is used as a research compound for studying the role of fatty alcohols in cancer metabolism and their potential as therapeutic targets or biomarkers for various types of cancer.
Used in Cosmetic Industry:
3,7,11-TRIMETHYL-1-DODECANOL may be used as an ingredient in cosmetic products for its emollient and moisturizing properties, helping to improve skin hydration and texture.
Used in Perfumery:
3,7,11-TRIMETHYL-1-DODECANOL can be used as a fragrance ingredient in perfumery due to its unique scent profile, contributing to the creation of various olfactory compositions.
Used in Flavor Industry:
3,7,11-TRIMETHYL-1-DODECANOL may be used as a flavoring agent in the food and beverage industry, providing a unique taste and enhancing the overall flavor profile of products.

InChI:InChI=1/C15H32O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h13-16H,5-12H2,1-4H3

Upstream product

• 4602-84-0 farnesol 
• 29548-30-9 farnesyl acetate 
• 37519-97-4 1-hydroxy-3,7,11-trimethyl-6,10-dodecadiene 
• 141-78-6 ethyl acetate 
• 105470-79-9 (3R,7R,5E)-3,7,11-trimethyldodecan-1-al 
• 59965-19-4 dihydro-(R)-(+)-β-citronellyl tosylate 
• 65527-98-2 (Ξ)-2-((S)-4-bromo-3-methyl-butoxy)-tetrahydro-pyran 
• 66261-43-6 (3R,7R)-1-chloro-3,7,11-trimethyl-dodecane 
• 13955-73-2 (3R,7R)-3,7,11-trimethyldodecanoic acid 
• 111723-52-5 (3R,7R)-(+)-1-(1'-ethoxy)ethoxy-3,7,11-trimethyldodecane 
• 98244-62-3 (2S,6R)-(+)-2,6-dimethyl-8-acetoxyoctyl tosylate 
• 107-82-4 i-pentyl bromide 
• 4548-78-1 (3-methylbutyl)magnesium bromide 
• 200122-03-8 (3R,7S)-8-Bromo-3,7-dimethyl-octan-1-ol 

Downstream Products

• 1190-55-2 3R(+),7RS-3,7,11-trimethyldodecanoic acid 
• 59100-81-1 4-(3,7,11-Trimethyldodecyloxy)-benzoesaeure 
• 128075-80-9 fluorescein 3,7,11-trimethyldodecyl ester 
• 3891-98-3 2,6,10-trimethyldodecane 
• 649551-83-7 3-benzyloxy-2-(3,4,5-trimethoxy-phenyl)-7-(3,7,11-trimethyl-dodecyl)-chromen-4-one 
• 94828-15-6 hexahydrofarnesyl p-tolylsulfone 
• 94827-97-1 2-(5'-p-tosyl-phytyl)-3-methyl-1,4-dimethoxynaphthalene 
• 502-69-2 6,10,14-Trimethyl-2-pentadecanon 
• 505-32-8 isophytol 
• 253686-88-3 (E)-3,7,11,15-tetramethylhexadec-2-en-1-ol 
• 130678-50-1 (4R,5R)-2-<(2RS,6RS)-2,6,10-Trimethylundecyl>-4,5-diphenyl-1,3-dioxolan 
• 130678-48-7 Dicyclohexyl-(4R,5R)-2-<(2RS,6RS)-2,6,10-trimethylundecyl>-1,3-dioxolan-4,5-dicarboxylat 
• 14905-56-7 2,6,10-trimethyl-tetradecane 
• 17081-50-4 2.6.10.13-Tetramethyl-pentadecan 

Relevant articles and documents

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Stereocontrol of 1,5-related stereocentres using an intermediate silyl group-the diastereoselectivity of nucleophilic attack on a double bond adjacent to a stereogenic carrying a silyl group

R-5-Methylcyclohex-2-enone 1 reacts successively with the phenyldimethylsilylzincate reagent and acetaldehyde to give with regiocontrol the aldols 7, dehydration of which creates the E-exocyclic double bond of the α-β-unsaturated ketone 2. Conjugate addition of the ethylcuprate reagent to this compound takes place with high (96 : 4) selectivity in favour of the R stereoisomer 12, hydrolysis of which gives (2R,3R,5S,2′ R)-2-(but-2′-yl)-3-dimethyl(phenyl)silyl-5-methylcyclohexanone 3. The oxime acetate of this ketone undergoes fragmentation in the presence of trimethylsilyl trifluoromethanesulfonate to give 3R,7R,5E-3,7-dimethylnon-5-enonitrile 4, in which an open-chain 1,5-stereo-chemical relationship is set up with a high level of stereocontrol. A similar sequence adding 4-methylpentylcuprate to the enone 2, and fragmentation gives 3R,7R,5E-3,7,11-trimethyldodec-5-enonitrile 20. Reduction and hydrogenation of this nitrile gives 3R,7R-3,7,11 -trimethyldodecanal 22, which can be converted into phytol 25. The ketoaldehyde 29 reacts with samarium iodide to give only the alcohol 30, in which the radical anion has attacked from the top surface, just like the cuprate reagents in their reactions with the ketone 2.

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