Decanal

Base Information

• Chemical Name: Decanal
• CAS No.: 112-31-2
• Molecular Formula: C10H20O
• Molecular Weight: 156.268
• Hs Code.: 2912.19
• European Community (EC) Number: 203-957-4
• NSC Number: 6087
• UNII: 31Z90Q7KQJ
• DSSTox Substance ID: DTXSID4021553
• Nikkaji Number: J2.888F
• Wikipedia: Decanal
• Wikidata: Q903525
• Metabolomics Workbench ID: 3450
• ChEMBL ID: CHEMBL2228377
• Mol file: 112-31-2.mol

Synonyms:decanal;decanaldehyde;n-decyl aldehyde

Chemical Property of Decanal

Chemical Property:

• Appearance/Colour: colourless liquid
• Melting Point: 7 °C
• Refractive Index: 1.426-1.430
• Boiling Point: 209 °C at 760 mmHg
• Flash Point: 85.6 °C
• PSA: 17.07000
• Density: 0.818 g/cm³
• LogP: 3.32600
• Water Solubility.: INSOLUBLE
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 156.151415257
• Heavy Atom Count: 11
• Complexity: 78.9

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:
• Safety Statements: S26:; S36:

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aldehydes
• Canonical SMILES: CCCCCCCCCC=O

Technology Process of Decanal

There total 228 articles about Decanal 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: 88.0%

methanol (67-56-1) + 1-decenyl dimethyl phosphate (74532-26-6,74532-27-7) → trimethyl phosphite (512-56-1) + caprinaldehyde (112-31-2)

Guidance literature:

With cesium fluoride; at 65 ℃; for 22h;

Reference yield: 78.0%

1-Decanol (112-30-1) → caprinaldehyde (112-31-2) + 1-decanoic acid (334-48-5)

Guidance literature:

With 2,2,6,6-tetramethyl-piperidine-N-oxyl; oxone; potassium bromide; methyltrioxorhenium(VII); In acetonitrile; at 0 ℃; for 4h;

Reference yield: 72.0%

2-n-nonyl-1,3-dioxolane (4353-06-4) → caprinaldehyde (112-31-2) + 1-decanoic acid (334-48-5)

Guidance literature:

With 10% Pt/activated carbon; oxygen; In water; at 80 ℃; for 6h; chemoselective reaction; Green chemistry;

DOI:10.3987/COM-19-14122

upstream raw materials:

formic acid

1-decanoic acid

selenous acid didecyl ester

2-decenal

Downstream raw materials:

1,1-bis-decyloxy-decane

decanal-monodecylacetal

(E)-2-dodecenoic acid

methyl 13-oxodocosanoate

Refernces

• 1、 Ochiai, Masahito,Yamamoto, Shinji,Sato, Koichi. "Formamides undergo in-plane bimolecular nucleophilic vinylic substitutions (S(N)2) by the reaction with (E)-alkenyl(phenyl)iodonium tetrafluoroborates: Stereoselective synthesis of (Z)-vinyl formates". . p. 1363 - 1364. Retrieved 1999.
• 2、 Ogura, Toshihiko,Kamimura, Ryuichiro,Shiga, Akinobu,Hosokawa, Takahiro. "Reversal of regioselectivity in Wacker-Type oxidation of simple terminal alkenes and its paired interacting orbitals (PIO) analysis". . p. 1555 - 1557. Retrieved 2005.
• 3、 Mehta, Goverdhan,Uma. "An exceptionally simple and convenient method for dethioacetalization". . p. 1897 - 1898. Retrieved 1996.
• 4、 Regen, Steven L.,Kodomari, Mitsuo. "Polymer-supported Chain Homologation". . p. 1428 - 1429. Retrieved 1987.
• 5、 Hara,Fukasaku. "-". . p. 893. Retrieved 1979.
• 6、 Fujioka, Hiromichi,Sawama, Yoshinari,Murata, Nobutaka,Okitsu, Takashi,Kubo, Ozora,Matsuda, Satoshi,Kita, Yasuyuki. "Unexpected highly chemoselective deprotection of the acetals from aldehydes and not ketones: TESOTf-2,6-lutidine combination". . p. 11800 - 11801. Retrieved 2004.
• 7、 Lyall, Catherine L.,Sato, Makoto,Uosis-Martin, Mario,Asghar, Syeda Farina,Jones, Matthew D.,Williams, Ian H.,Lewis, Simon E.. "C-H functionalization of sp3centers with aluminum: A computational and mechanistic study of the baddeley reaction of decalin". . p. 13745 - 13753. Retrieved 2014.
• 8、 Alayrac, Carole,Cerreta, Francesca,Chapron, Isabelle,Corbin, Florence,Metzner, Patrick. "Thiophilic addition of organolithiums to aliphatic sulfines". . p. 4507 - 4510. Retrieved 1996.
• 9、 Jiang, Yuanyuan,Li, Shengying,Li, Zhong,Peng, Wei,Tang, Dandan,Wang, Binju,You, Cai,Zhao, Yue. "Unexpected Reactions of α,β-Unsaturated Fatty Acids Provide Insight into the Mechanisms of CYP152 Peroxygenases". supporting information. p. 24694 - 24701. Retrieved 2021/10/14.
• 10、 Chen, Junjun,Hua, Kaimin,Liu, Xiaofang,Deng, Yuchao,Wei, Baiyin,Wang, Hui,Sun, Yuhan. "Selective Production of Linear Aldehydes and Alcohols from Alkenes using Formic Acid as Syngas Surrogate". . p. 9919 - 9924. Retrieved 2021/05/31.