1-Decanol

Base Information

• Chemical Name: 1-Decanol
• CAS No.: 112-30-1
• Deprecated CAS: 118374-94-0
• Molecular Formula: C10H22O
• Molecular Weight: 158.284
• Hs Code.: 29051900
• European Community (EC) Number: 203-956-9,266-367-6,287-621-2,253-173-1
• ICSC Number: 1490
• NSC Number: 406313
• UN Number: 1987,3082
• UNII: 89V4LX791F
• DSSTox Substance ID: DTXSID7021946
• Nikkaji Number: J2.887H
• Wikipedia: 1-Decanol
• Wikidata: Q47118
• RXCUI: 1363052
• Metabolomics Workbench ID: 3155
• ChEMBL ID: CHEMBL25363
• Mol file: 112-30-1.mol

Synonyms:1-decanol;n-decanol;n-decyl alcohol;n-decyl alcohol, aluminum salt;n-decyl alcohol, magnesium salt;n-decyl alcohol, sodium salt;n-decyl alcohol, titanium salt

Chemical Property of 1-Decanol

Chemical Property:

• Appearance/Colour: colorless viscous liquid
• Vapor Pressure: 1 mm Hg ( 70 °C)
• Melting Point: 6 °C
• Refractive Index: n20/D 1.437(lit.)
• Boiling Point: 227.8 °C at 760 mmHg
• PKA: 15.21±0.10(Predicted)
• Flash Point: 108 °C
• PSA: 20.23000
• Density: 0.8297 g/cm³
• LogP: 3.11940
• Storage Temp.: room temp
• Solubility.: ethanol: soluble60%, clear, colorless (1mL/3mL)
• Water Solubility.: insoluble
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 158.167065321
• Heavy Atom Count: 11
• Complexity: 61.9
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

1-Decanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N,Xi
• Hazard Codes: Xn,N,Xi
• Statements: 20-36/37/38-51/53-36/38-52/53-36
• Safety Statements: 26-60-61-37/39-29-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Alcohols (
• Canonical SMILES: CCCCCCCCCCO
• Inhalation Risk: A harmful contamination of the air will not or will only very slowly be reached on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is irritating to the eyes and skin. The substance may cause effects on the central nervous system at high levels.
• Effects of Long Term Exposure: The substance defats the skin, which may cause dryness or cracking.
• description: 1-Decanol, also known as decyl alcohol or n-decyl alcohol, is a straight chain fatty alcohol with ten carbon atoms and the molecular formula CH3(CH2)9OH. It is a colorless viscous liquid that is insoluble in water. It is colorless and has a strong odor. It is a clear colorless liquid with a sweet fat-like odor. It has a flash point of 180°F. It is less dense than water and insoluble in water. Its vapors are heavier than air.
• Uses: 1-Decanol is a long chain alcohol that has been seen to enhance homomeric glycine receptor function. In addition, the 5HT2α receptors were inhibited by the presence of 1-decanol. This action has many psychological repercussions on an individual. 1-Decanol is also used in the manufacture of plasticizers, synthetic lubricants, petroleum additives, herbicides, surface active agents, solvents. Has moderate antifoaming capacity.

Technology Process of 1-Decanol

There total 329 articles about 1-Decanol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 71.0%

1-((decyloxy)methyl)-2-methoxybenzene → 1-Decanol (112-30-1) + 2-methylmethoxybenzene (578-58-5)

Guidance literature:

With N¹,N¹,N¹²,N¹²-tetramethyl-7,8-dihydro-6H-dipyrido[1,2-a:2,1'-c][1,4]diazepine-2,12-diamine; In N,N-dimethyl-formamide; for 72h; Inert atmosphere; Glovebox; UV-irradiation;

DOI:10.1002/anie.201208066

Reference yield: 66.0%

n-decyl benzoate (36685-97-9) → 1-Decanol (112-30-1) + benzyl alcohol (100-51-6,185532-71-2)

Guidance literature:

With lithium-trihydroborate; In tetrahydrofuran; at 70 ℃; for 48h;

Reference yield: 60.0%

1-((decyloxy)methyl)-3,5-dimethoxybenzene (1426824-95-4) → 1-Decanol (112-30-1) + 1,3-dimethoxy-5-methylbenzene (4179-19-5)

Guidance literature:

With N¹,N¹,N¹²,N¹²-tetramethyl-7,8-dihydro-6H-dipyrido[1,2-a:2,1'-c][1,4]diazepine-2,12-diamine; In N,N-dimethyl-formamide; for 72h; Inert atmosphere; Glovebox; UV-irradiation;

DOI:10.1002/anie.201208066

upstream raw materials:

oxirane

octylmagnesium bromide

1,2-Epoxydecane

formaldehyd

Downstream raw materials:

pyridine-2-carboxylic acid decyl ester

n-decyl chloroformate

mono-n-decyl phthalate

decyloxytrimethylsilane

Refernces

• 1、 Takahashi, Kyoko,Shibagaki, Makoto,Kuno, Hideyuki,Matsushita, Hajime. "Reduction of Carboxylic Acid with 2-Propanol over Zirconia-Titania". . p. 839 - 840. Retrieved 1993.
• 2、 Itoh,M. et al.. "". . p. 271 - 274. Retrieved 1976.
• 3、 Chandrasekhar,Sumithra,Yadav. "Deprotection of mono and dimethoxy phenyl methyl ethers using catalytic amounts of DDQ". . p. 1645 - 1646. Retrieved 1996.
• 4、 Makabe, Hidefumi,Negishi, Ei-Ichi. "Hydrogen transfer hydrozirconation of alkenes with iBuZrCp2Cl catalyzed by Lewis-acidic metal compounds containing Al, Zn, Si, Ag, and Pd". . p. 969 - 971. Retrieved 1999.
• 5、 Suseela, Y.,Periasamy, M.. "Convenient method for the preparation of catecholborane and promotion of the formation of alkenyl catecholborane using BH3 complexes". . p. 47 - 52. Retrieved 1993.
• 6、 Thaisrivongs,S.,Wuest,J.D.. "-". . p. 3243 - 3247. Retrieved 1977.
• 7、 Ikawa, Takashi,Sajiki, Hironao,Hirota, Kosaku. "Unexpected deprotection of silyl and THP ethers induced by serious disparity in the quality of Pd/C catalysts and elucidation of the mechanism". . p. 6189 - 6195. Retrieved 2004.
• 8、 Townsend, Tanya M.,Kirby, Christopher,Ruff, Andrew,O'Connor, Abby R.. "Transfer hydrogenation of aromatic and linear aldehydes catalyzed using Cp*Ir(pyridinesulfonamide)Cl complexes under base-free conditions". . p. 7 - 13. Retrieved 2017.
• 9、 Bartoli, Giuseppe,Bosco, Marcella,Marcantoni, Enrico,Sambri, Letizia,Torregiani, Elisabetta. "A mild, efficient, and selective method for the desilylation of more common trialkylsilyl ethers by cerium(III) chloride heptahydrate and sodium iodide in acetonitrile". . p. 209 - 211. Retrieved 1998.
• 10、 Kaisalo, Leena,Hase, Tapio. "Cleavage of the THP protecting group under Pd/C-catalyzed hydrogenation conditions". . p. 7699 - 7701. Retrieved 2001.