2-Methylundecanal

Base Information

• Chemical Name: 2-Methylundecanal
• CAS No.: 110-41-8
• Deprecated CAS: 135026-96-9
• Molecular Formula: C12H24 O
• Molecular Weight: 184.322
• Hs Code.: 2912190090
• European Community (EC) Number: 203-765-0
• NSC Number: 46127
• UNII: S94QNS2VY5
• DSSTox Substance ID: DTXSID9047629
• Nikkaji Number: J127.230F
• Wikipedia: 2-Methylundecanal
• Wikidata: Q209447
• RXCUI: 2378836
• Metabolomics Workbench ID: 45067
• ChEMBL ID: CHEMBL3182849
• Mol file: 110-41-8.mol

Synonyms:2-Methylundecanal;110-41-8;UNDECANAL, 2-METHYL-;Methylnonylacetaldehyde;Aldehyde M.N.A.;Aldehyde C-12;Methyl-n-nonylacetaldehyde;2-Methylhendecanal;Methylnonylacetic aldehyde;2-methyl Undecanal;Aldehyde C-12 mna;Methyl n-nonyl acetaldehyde;Methyl nonyl acetic aldehyde;2-Methyl-1-undecanal;FEMA No. 2749;Methyl nonyl acetaldehyde;Methyl n-nonyl acetic aldehyde;EINECS 203-765-0;NSC 46127;UNII-S94QNS2VY5;BRN 1758291;S94QNS2VY5;Aldehyde C-12, M.N.A.;AI3-03960;DTXSID9047629;NSC-46127;EC 203-765-0;Aldehyde MNA;Aldehyde M.N.A;methylnonylacetaldehyd;2 - methylundecanal;Undecanal, 2-metil-;2-Methylnonylacetaldehyde;2-METHYL-UNDECANAL;Aldehyde C-12, M.N.A;SCHEMBL22700;UNDECENAL, 2-METHYL-;2-METHYLUNDECANAL [FCC];CHEMBL3182849;DTXCID7027629;FEMA 2749;2-METHYLUNDECANAL [FHFI];2-Methylundecanal, >=94%, FCC;NSC46127;Tox21_302620;BBL027630;MFCD00006990;STL373574;AKOS009159277;LS-2965;NCGC00256900-01;CAS-110-41-8;VS-08572;FT-0613095;E77645;2-METHYL UNDECANAL (ALDEHYDE C-12 MNA);Q209447;W-109404;methyl nonyl acetaldehyde, methylundecanal, aldehyde C12

Chemical Property of 2-Methylundecanal

Chemical Property:

• Appearance/Colour: slightly yellow
• Vapor Pressure: 0.0107mmHg at 25°C
• Refractive Index: n20/D 1.432(lit.)
• Boiling Point: 171 °C(lit.)
• Flash Point: 200 °F
• PSA: 17.07000
• Density: 0.83 g/mL at 25 °C(lit.)
• LogP: 3.96210
• Water Solubility.: 1.3mg/L at 20℃
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 184.182715385
• Heavy Atom Count: 13
• Complexity: 110

Purity/Quality:

99.9% ^*data from raw suppliers

2-Methylundecanal,≥98%(GC),FG,KOSHER,FEMA2749Hazmat ≥98%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aldehydes
• Canonical SMILES: CCCCCCCCCC(C)C=O
• Description: 2-Methylundecanal has a characteristic fatty odor assuming a floral note on dilution. It has an acrid, fatty unpleasant flavor at high levels. At low levels, the flavor is honey- and nut-like. It may be prepared by cracking the corresponding glycidic acid; from α-nonyl acrolein; from methyl nonyl ketone and ethyl monochloroacetate in the presence of sodium ethylate.
• Uses: Perfumery, flavoring.

Technology Process of 2-Methylundecanal

There total 25 articles about 2-Methylundecanal 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: 100.0%

2-methylundecanal dimethyl acetal (68141-17-3) → 2-methylundecanal (110-41-8)

Guidance literature:

2-methylundecanal dimethyl acetal; With 2,4,6-trimethyl-pyridine; triethylsilyl trifluoromethyl sulfonate; In dichloromethane; at 0 ℃;

With water; In dichloromethane;

DOI:10.1021/ja060328d

Reference yield: 96.0%

2-methyl-1,2-epoxyundecane (54125-40-5) → 2-methylundecanal (110-41-8)

Guidance literature:

With methylaluminium bis(4-bromo-2,6-di-tert.-butylphenoxide); In dichloromethane; at -78 ℃; for 0.5h;

DOI:10.1016/S0040-4020(01)96153-8

Reference yield: 93.0%

C13H24O3 → 2-methylundecanal (110-41-8)

Guidance literature:

With toluene-4-sulfonic acid; In N,N-dimethyl-formamide; at 80 ℃; for 4h; Temperature;

upstream raw materials:

formic acid

1-ethoxy-2-methyl-undecan-2-ol

2,3-epoxy-3-methyl-dodecanoic acid ethyl ester

non-1-ene

Downstream raw materials:

(3-methyldodec-1-enyl)benzene

2-methylundecanal dimethyl acetal

2-methyl-2-(toluene-4-sulfonyloxymethyl)-undecanal

(?)-2-allyl-2-methylundecanal

Refernces

• 1、 Maruoka, Keiji,Ooi, Takashi,Yamamoto, Hisashi. "Organoaluminum-Promoted Rearrangement of Epoxy Silyl Ethers to β-Siloxy Aldehydes". . p. 6431 - 6432. Retrieved 1989.
• 2、 -. "Improvement synthetic method for methyl nonyl acetaldehyde". Paragraph 0007. . Retrieved 2017/03/25.
• 3、 Trachsel, Alain,Buchs, Barbara,Godin, Guillaume,Crochet, Aurelien,Fromm, Katharina M.,Herrmann, Andreas. "Preparation of imidazolidin-4-ones and their evaluation as hydrolytically cleavable precursors for the slow release of bioactive volatile carbonyl derivatives". supporting information; experimental part. p. 2837 - 2854. Retrieved 2012/07/03.