Hydroxycitronellal dimethyl acetal

Base Information

• Chemical Name: Hydroxycitronellal dimethyl acetal
• CAS No.: 141-92-4
• Molecular Formula: C12H26 O3
• Molecular Weight: 218.337
• Hs Code.: 2909499000
• European Community (EC) Number: 205-510-9
• NSC Number: 76412
• UNII: K989V651N4
• DSSTox Substance ID: DTXSID4047547
• Nikkaji Number: J1.192D
• Wikidata: Q27282124
• Metabolomics Workbench ID: 48912
• ChEMBL ID: CHEMBL3184842
• Mol file: 141-92-4.mol

Synonyms:8,8-Dimethoxy-2,6-dimethyloctan-2-ol;Hydroxycitronellal dimethyl acetal;141-92-4;Laurine dimethyl acetal;8,8-Dimethoxy-2,6-dimethyl-2-octanol;Hydroxycitronellal DMA;1,1-Dimethoxy-3,7-dimethyl-7-octanol;2-Octanol, 8,8-dimethoxy-2,6-dimethyl-;FEMA No. 2585;OCTANAL, 7-HYDROXY-3,7-DIMETHYL-, DIMETHYL ACETAL;NSC 76412;Citronellal hydrate dimethylacetal;7-Hydroxy-3,7-dimethyloctanal dimethyl acetal;EINECS 205-510-9;AI3-05824;DTXSID4047547;Hydroxycitronella dimethyl acetal;UNII-K989V651N4;NSC-76412;K989V651N4;7-Hydroxy-3,7-dimethyloctanal, dimethyl acetal;NCIOpen2_004111;SCHEMBL997419;7-Hydroxy-3, dimethyl acetal;hydroxycitronellal dimethylacetal;CHEMBL3184842;DTXCID2027547;FEMA 2585;CHEBI:172458;NSC76412;Tox21_302540;Octanal,7-dimethyl-, dimethyl acetal;AKOS016011094;2-Octanol,8-dimethoxy-2,6-dimethyl-;LS-2820;1,1-dimethoxy-3,7-dimethyloctan-7-ol;Hydroxydihydrocitronellal dimethyl acetal;NCGC00256762-01;2-octanol, 8,8-dimetoxi-2,6-dimetil-;CAS-141-92-4;HYDROXYCITRONELLAL DIMETHYL ACETAL [FCC];(+/-)-HYDROXYCITRONELLAL DIMETHYL ACETAL;HYDROXYCITRONELLAL DIMETHYL ACETAL [FHFI];Hydroxycitronellal dimethyl acetal, >=95%, FCC;HYDROXYCITRONELLAL DIMETHYL ACETAL, (+/-)-;8,8 - dimethoxy - 2,6 - dimethyloctan - 2 - ol;Q27282124

Chemical Property of Hydroxycitronellal dimethyl acetal

Chemical Property:

• Vapor Pressure: 0.00052mmHg at 25°C
• Refractive Index: n20/D 1.442(lit.)
• Boiling Point: 278.5°Cat760mmHg
• Flash Point: 122.2°C
• PSA: 38.69000
• Density: 0.918g/cm³
• LogP: 2.57270
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 218.18819469
• Heavy Atom Count: 15
• Complexity: 153

Purity/Quality:

99%, ^*data from raw suppliers

HYDROXYCITRONELLAL DIMETHYL ACETAL Aldrich ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCCC(C)(C)O)CC(OC)OC
• Description: Hydroxycitronellal dimethyl acetal has a light, green, flowery odor similar to hydroxycitronellal. This substance is usually prepared from hydroxycitronellal and methyl alcohol in the presence of a catalyst.
• Uses: Flavoring agent in foods, perfumery.

Technology Process of Hydroxycitronellal dimethyl acetal

There total 3 articles about Hydroxycitronellal dimethyl acetal 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:

7-hydroxy-3,7-dimethyl-octanal (107-75-5) + methyl orthoformate (34405-39-5) → 1,1-dimethoxy-3,7-dimethyl-7-octanol (141-92-4)

Guidance literature:

With sodium acetate; toluene-4-sulfonic acid; In methanol;

Reference yield:

→ 1,1-dimethoxy-3,7-dimethyl-7-octanol (141-92-4)

Guidance literature:

Hydroxycitronellal, Methylorthoformiat;

Reference yield:

methanol (67-56-1) + (R)-7-hydroxy-3,7-dimethyl-octanal (34212-48-1) → (R)-7-hydroxy-3,7-dimethyl-octanal-dimethylacetal; hydroxycitronellal-dimethylacetal (141-92-4)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

methanol

(R)-7-hydroxy-3,7-dimethyl-octanal

7-hydroxy-3,7-dimethyl-octanal

methyl orthoformate

Refernces