delta-Decalactone

Base Information

• Chemical Name: delta-Decalactone
• CAS No.: 705-86-2
• Deprecated CAS: 35221-79-5
• Molecular Formula: C10H18O2
• Molecular Weight: 170.252
• Hs Code.: 29322090
• European Community (EC) Number: 211-889-1
• UNII: CNA0S5T234
• DSSTox Substance ID: DTXSID0044496
• Nikkaji Number: J35.391D
• Wikipedia: %CE%94-Decalactone
• Wikidata: Q27159530
• RXCUI: 2371703
• Metabolomics Workbench ID: 4362
• ChEMBL ID: CHEMBL3182189
• Mol file: 705-86-2.mol

Synonyms:DELTA-DECALACTONE;705-86-2;6-Pentyltetrahydro-2H-pyran-2-one;5-Decanolide;2H-Pyran-2-one, tetrahydro-6-pentyl-;6-pentyloxan-2-one;Decan-5-olide;delta-Decanolactone;Decanolide-1,5;5-Decalactone;Amyl-delta-valerolactone;5-Pentyl-5-pentanolide;5-Hydroxydecanoic acid delta-lactone;delta-Decalactone (natural);FEMA No. 2361;d-decalactone;delta-Pentyl-delta-valerolactone;(+/-)-5-Decanolide;Delta Decalactone;Tetrahydro-6-pentyl-2H-pyran-2-one;.delta.-Decalactone;5-Amyl-5-hydroxypentanoic acid lactone;AI3-36028;.delta.-Amylvalerolactone;EINECS 211-889-1;MFCD00006649;BRN 0117520;UNII-CNA0S5T234;(R)-(+)-delta-Decanolactone;CNA0S5T234;Tetrahydro-6-pentylpyran-2-one;DTXSID0044496;CHEBI:87327;(S)-(-)-DELTA-DECANOLACTONE;Decanoic acid, 5-hydroxy-, .delta.-lactone;EC 211-889-1;5-17-09-00090 (Beilstein Handbook Reference);.delta.-Decanolide;delta-Caprinolactone;Decan- 5- olide;6-pentylvalerolactone;.delta.-Decanolactone;delta-Amylvalerolactone;(+/-)-delta-Pentyl-delta-valerolactone;decan - 5 - olide;Nat. Delta Decalactone;DECALACTONE DELTA;.DELTA.-LACTONE;delta - DECALACTONE;(+/-)-6-Pentyltetrahydro-2H-pyran-2-one;5-Hydroxydecanoic lactone;.DELTA.-LACTONE-;Amyl-.delta.-valerolactone;5-Decanolide, >=98%;(R)-(+)delta-Decalactone;laquo deltaRaquo -decanolide;laquo deltaRaquo -decalactone;SCHEMBL114875;5-Hydroxydecanoic acid lactone;laquo deltaRaquo -decanolactone;DELTA-DECALACTONE [FCC];CHEMBL3182189;DELTA-DECALACTONE [INCI];DTXCID8024496;6-pentyl-tetrahydro-pyran-2-one;FEMA 2361;(RS)-.DELTA.-DECALACTONE;.DELTA.-DECALACTONE [MI];laquo deltaRaquo -amylvalerolactone;.DELTA.-DECALACTONE [FHFI];Amyl-laquo deltaRaquo -valerolactone;LT laquo deltaRaquo GT -decalactone;Tox21_301878;5-Hydroxydecanoic Acid Delta Lactone;AC2158;BBL027599;LMFA07040028;STL373782;(+/-)-.DELTA.-DECALACTONE;delta-Decalactone, analytical standard;6-Pentyltetrahydro-2H-pyran-2-one #;AKOS015914990;5-Hydroxydecanoic acid .delta.-lactone;CS-W017695;DS-3354;HY-W016979;LS-2651;2h-piran-2-ona, tetrahidro-6-pentil-;delta-Decalactone, >=98%, FCC, FG;NCGC00255981-01;CAS-705-86-2;SY015319;D1416;FT-0624501;5-Decanolide (laquo deltaRaquo -decalactone);CAPRIC ACID, .DELTA.-HYDROXY-, LACTONE;delta-Decalactone, natural, >=98%, FCC, FG;EN300-203358;FEMA NO. 4611, .DELTA.-DECALACTONE-;5-Hydroxydecanoic acid laquo deltaRaquo -lactone;W-104548;Decanoic acid, 5-hydroxy-, laquo deltaRaquo -lactone;Q27159530;delta-Decanolactone, (+/-)-delta-Pentyl-delta-valerolactone

Chemical Property of delta-Decalactone

Chemical Property:

• Appearance/Colour: clear colorless to light yellow oily liquid
• Vapor Pressure: 0.00825mmHg at 25°C
• Melting Point: -27 °C(lit.)
• Refractive Index: n20/D 1.458(lit.)
• Boiling Point: 267.228 °C at 760 mmHg
• Flash Point: 106.059 °C
• PSA: 26.30000
• Density: 0.94 g/cm³
• LogP: 2.66240
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: Soluble in water (4 mg/ml at 28°C), alcohols, and propylene glycol.
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 170.130679813
• Heavy Atom Count: 12
• Complexity: 143

Purity/Quality:

95.00% ^*data from raw suppliers

δ-Decalactone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25-37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1CCCC(=O)O1
• Uses: Used in pharmaceutical preparations, feed additive, flavorings agent. Also used by food and flavor industries for its coconut fragrance and taste. It is also used as a reagent in the synthesis of (±)-Massoilactone (M197600); a chemical component with antibacterial activity found in volatile oils.

Technology Process of delta-Decalactone

There total 41 articles about delta-Decalactone 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: 98.0%

3-Benzenesulfinyl-6-pentyl-tetrahydro-pyran-2-one (100591-72-8) → (+/-)-δ-decanolactone (705-86-2)

Guidance literature:

With aluminum amalgam; In tetrahydrofuran; water;

DOI:10.1016/S0040-4039(00)98975-5

Reference yield: 94.0%

decan-1,5-diol (4203-48-9) → (+/-)-δ-decanolactone (705-86-2)

Guidance literature:

With isoamyltriphenylphosphonium perruthenate; 4-methylmorpholine N-oxide; In dichloromethane; at 20 ℃; Reagent/catalyst; Molecular sieve; Inert atmosphere;

DOI:10.1002/chem.201800531

Reference yield: 94.0%

2-pentyl-cyclopentanone (4819-67-4) → (+/-)-δ-decanolactone (705-86-2)

Guidance literature:

With sodium hydrogencarbonate; magnesium monoperoxyphthalate hexahydrate; In methanol; water; for 24h; Ambient temperature;

DOI:10.1021/jo9623043

upstream raw materials:

decan-1,5-diol

6-pentyl-tetrahydro-2H-pyran-2-ol

3-Benzenesulfinyl-6-pentyl-tetrahydro-pyran-2-one

5-Acetoxydecannitril

Downstream raw materials:

decanamide

cis-6-pentyl-2-(phenylthio)tetrahydropyran

trans-6-pentyl-2-(phenylthio)tetrahydropyran

Non-3-en-2-on

Refernces

• 1、 Liu, Qianyi,Zhang, Jianning,Zhang, Lei,Mo, Fanyang. "Photo-induced radical borylation of hemiacetals via C–C bond cleavage". supporting information. . Retrieved 2021/01/05.
• 2、 Donnelly, Paul S.,North, Andrea J.,Radjah, Natalia Caren,Ricca, Michael,Robertson, Angus,White, Jonathan M.,Rizzacasa, Mark A.. "An effective cis-β-octahedral Mn(iii) SALPN catalyst for the Mukaiyama-Isayama hydration of α,β-unsaturated esters". supporting information. p. 7699 - 7702. Retrieved 2019/07/09.