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123-79-5

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123-79-5 Usage

Chemical Properties

Colorless oily liquid

Uses

It is used as a plasticizer for synthetic rubbers, nitrocellulose, and ethyl cellulose.

Production Methods

Dioctyl adipate is manufactured via esterification of adipic acid with octanol.

Health Hazard

Recommended Personal Protective Equipment: None required; Symptoms Following Exposure: Low toxicity; no reports of injury in industrial handling; General Treatment for Exposure: SKIN AND EYES: wipe off and wash skin with soap and water. Treat like lubricating oil. Flush eyes with water. Remove to fresh air; Toxicity by Inhalation (Threshold Limit Value): Not pertinent; Short-Term Exposure Limits: Not pertinent; Toxicity by Ingestion: Grade 1;LD50 = 5 to 15 g/kg; Late Toxicity: None; Vapor (Gas) Irritant Characteristics: Vapors are nonirritating to the eyes and throat; Liquid or Solid Irritant Characteristics: Minimum hazard. If spilled on clothing and allowed to remain, may cause smarting and reddening of the skin; Odor Threshold: Not pertinent.

Chemical Reactivity

Reactivity with Water No reaction; Reactivity with Common Materials: No reaction; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent.

Check Digit Verification of cas no

The CAS Registry Mumber 123-79-5 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 1,2 and 3 respectively; the second part has 2 digits, 7 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 123-79:
(5*1)+(4*2)+(3*3)+(2*7)+(1*9)=45
45 % 10 = 5
So 123-79-5 is a valid CAS Registry Number.
InChI:InChI=1/C22H42O4/c1-3-5-7-9-11-15-19-25-21(23)17-13-14-18-22(24)26-20-16-12-10-8-6-4-2/h3-20H2,1-2H3

123-79-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name dioctyl hexanedioate

1.2 Other means of identification

Product number -
Other names Dicaprylyl adipate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Food additives -> Flavoring Agents
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:123-79-5 SDS

123-79-5Synthetic route

Adipic acid
124-04-9

Adipic acid

octanol
111-87-5

octanol

dioctyl adipate
123-79-5

dioctyl adipate

Conditions
ConditionsYield
With trifluorormethanesulfonic acid at 80℃; for 18h; Sealed tube;93%
With pyrographite; toluene-4-sulfonic acid for 0.0111111h; Esterification; Ring cleavage; Microwave irradiation (600 W);90%
With [AlMo6]Anderson-type heteropolyacid at 100℃; for 8h;
octyl acrylate
2499-59-4

octyl acrylate

dioctyl adipate
123-79-5

dioctyl adipate

Conditions
ConditionsYield
With samarium diiodide; water In tetrahydrofuran at -78℃; for 24h;93%
octanol
111-87-5

octanol

carbon monoxide
201230-82-2

carbon monoxide

buta-1,3-diene
106-99-0

buta-1,3-diene

dioctyl adipate
123-79-5

dioctyl adipate

Conditions
ConditionsYield
With palladium(II) trifluoroacetate; toluene-4-sulfonic acid; 1,2-bis[di(t-butyl)phosphinomethyl]benzene In toluene at 120℃; under 30003 Torr; for 24h; Autoclave; Green chemistry; regioselective reaction;77%
With palladium(II) trifluoroacetate; HeMaRaphos; toluene-4-sulfonic acid In toluene at 120℃; under 30003 Torr; for 24h; regioselective reaction;87 %Chromat.
N-tert-Butylacrylamide
107-58-4

N-tert-Butylacrylamide

octyl acrylate
2499-59-4

octyl acrylate

A

dioctyl adipate
123-79-5

dioctyl adipate

B

n-octyl 6-(tert-butylamino)-6-oxohexanoate
1206519-59-6

n-octyl 6-(tert-butylamino)-6-oxohexanoate

Conditions
ConditionsYield
With samarium diiodide; water In tetrahydrofuran at -78℃; for 18h; Inert atmosphere;A 60%
B 31%
Adipic acid
124-04-9

Adipic acid

N-dimethylamine

N-dimethylamine

1-bromo-octane
111-83-1

1-bromo-octane

dioctyl adipate
123-79-5

dioctyl adipate

Conditions
ConditionsYield
With sodium hydroxide
phthalic anhydride
85-44-9

phthalic anhydride

Adipic acid
124-04-9

Adipic acid

octanol
111-87-5

octanol

Dipropylene glycol
106-62-7

Dipropylene glycol

dioctyl adipate
123-79-5

dioctyl adipate

Conditions
ConditionsYield
titanium
Adipic acid
124-04-9

Adipic acid

2-Ethylhexyl alcohol
104-76-7

2-Ethylhexyl alcohol

dioctyl adipate
123-79-5

dioctyl adipate

Conditions
ConditionsYield
With CF3SO2-polystyrene sulfonic acid resin at 150℃; for 3h; Reagent/catalyst;
octanol
111-87-5

octanol

hexanedioic acid dimethyl ester
627-93-0

hexanedioic acid dimethyl ester

A

dioctyl adipate
123-79-5

dioctyl adipate

B

octyl methyl adipate

octyl methyl adipate

Conditions
ConditionsYield
With Candida antarctica lipase B immobilised on acrylic carriers In neat (no solvent) at 25℃; Enzymatic reaction;
octanol
111-87-5

octanol

divinyl adipate
4074-90-2

divinyl adipate

A

dioctyl adipate
123-79-5

dioctyl adipate

B

octyl vinyl adipate
97499-79-1

octyl vinyl adipate

Conditions
ConditionsYield
With recombinant Mycobacterium smegmatis esterase/acyltransferase wild type immobilized on EziG3 (EnginZyme) carrier In neat (no solvent) at 25℃; Catalytic behavior; Reagent/catalyst; Enzymatic reaction;

123-79-5Downstream Products

123-79-5Related news

Effect of y-radiation on migration of Dioctyl adipate (cas 123-79-5) plasticizer from food grade PVC film into olive oil09/08/2019

Food grade PVC film containing 28.3% dioctyl adipate (DOA) plasticizer was brought in one side contact with olive oil and was irradiated with y-radiation (80Co) at 4 and 9 KGy doses corresponding to “cold pasteurization”. Irradiation was carried out at 8-–10°C and samples were subsequently s...detailed

123-79-5Relevant articles and documents

Novel fluorination of polystyrene sulfonic acid resin by CF3SO3H for high stability and strong acidity

Lang, Xuewei,Jia, Wenzhi,Wang, Yanan,Zhu, Zhirong

, p. 58 - 61 (2015)

A novel fluorination method derived from CF3SO3H was employed to the polystyrene sulfonic acid resin, to enhance its acid strength and stability. The as-prepared CF3SO2-resin was characterized by FT-IR, XPS, 31P MAS NMR, and chemical titration, and its catalytic performance was tested. It was found that CF3SO2-resin exhibited higher selectivity to benzyltoluene in the Friedel-Crafts alkylation of toluene with benzyl alcohol, excellent catalytic activity with 96% conversion and a good recyclability over seven times in esterification of 1, 6-hexanedioic acid with 2-ethylhexanol.

Biomass-derived dibasic acids to diesters with inorganic ligand-supported catalyst: synthesis, optimization, characterization

Chen, Zhe,Han, Sheng,Lu, Deli,Xu, Yumeng

, (2021/08/23)

Several attempts have been made to obtain aliphatic dicarboxylic diesters from esterification reaction to develop the biomass-derived platform molecules and green manufacturing processes. In this paper, Na3(H2O)6[AlMo6O18(OH)6], an Anderson-type polyoxometalate, firstly, was reported as a catalyst for diester synthesis from dicarboxylic acid to diester which showed an well productivity and selectivity characterized by 1H and 13C. Response surface methodology (RSM) integrated with the desirability function approach was used to determine the best operative conditions, and the optimal reaction parameters for maximum dipropyl succinate yield (77 ± 2.5%) were identified as 1.19?mol.% catalyst loading, 4.9:1 propanol/succinic acid ratio, 113?°C, and 9.6?h. Three batches of tests were carried for catalyst recycling with 78–75% yield even after 6 cycles of esterification. In addition, the substrate carbon chain was increased for investigation of substrate scope achieving satisfactory results and all products were characterized by 1H and 13C nuclear magnetic resonance spectroscopy.

Direct synthesis of adipic acid esters via palladium-catalyzed carbonylation of 1,3-dienes

Yang, Ji,Liu, Jiawang,Neumann, Helfried,Franke, Robert,Jackstell, Ralf,Beller, Matthias

, p. 1514 - 1517 (2020/01/08)

The direct carbonylation of 1,3-butadiene offers the potential for a more cost-efficient and environmentally benign route to industrially important adipic acid derivatives. However, owing to the complex reaction network of regioisomeric carbonylation and isomerization pathways, a selective practical catalyst for this process has thus far proven elusive. Here, we report the design of a pyridyl-substituted bidentate phosphine ligand (HeMaRaphos) that, upon coordination to palladium, catalyzes adipate diester formation from 1,3-butadiene, carbon monoxide, and butanol with 97% selectivity and 100% atom-economy under industrially viable and scalable conditions (turnover number > 60,000). This catalyst system also affords access to a variety of other di- and triesters from 1,2- and 1,3-dienes.

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