Diisopropyl adipate supplier

Name
Diisopropyl adipate
EINECS 230-072-0
CAS No. 6938-94-9
Article Data22
CAS DataBase
Density 0.982 g/cm³
Solubility 180-500mg/L at 25-26℃
Melting Point -1°C(lit.)
Formula C₁₂H₂₂O₄
Boiling Point 252.6 °C at 760 mmHg
Molecular Weight 230.304
Flash Point 109.8 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms Adipicacid, diisopropyl ester (6CI,7CI,8CI);Hexanedioic acid, bis(1-methylethyl)ester (9CI);Ceraphyl 230;Crodamol DA;Iso Adipat;Isopropyl adipate;NSC 56587;Nikkol DID;Schercemol DIA;Standamul DIPA;BRN 1785346;
PSA 52.60000
LogP 2.45000

Synthetic route

: 627-93-0
hexanedioic acid dimethyl ester

: 67-63-0
isopropyl alcohol

: 6938-94-9
adipic acid diisopropyl ester

Conditions

Conditions	Yield
With tetramethylammonium methyl carbonate for 8h; Molecular sieve; Reflux; Green chemistry;	98%

: 124-04-9
Adipic acid

: 67-63-0
isopropyl alcohol

: 6938-94-9
adipic acid diisopropyl ester

Conditions

Conditions	Yield
With thionyl chloride; sodium carbonate for 2h; Heating;	89%

: 201230-82-2
carbon monoxide

: 90157-48-5
diisopropyl (E)-hex-3-enedioate

A: 6938-94-9
adipic acid diisopropyl ester

B: diisopropyl 3-formylhexanedioate

Conditions

Conditions	Yield
With triphenyl phosphite; (acetylacetonato)dicarbonylrhodium (l); hydrogen In tetrahydrofuran at 70℃; under 3750.38 - 15001.5 Torr; for 16h; Schlenk technique; Autoclave;	A n/a B 88%

...Expand

: 67-63-0
isopropyl alcohol

: 518068-80-9
2,4-dinitro-benzenesulfonic acid 2-oxo-cyclohexyl ester

: 6938-94-9
adipic acid diisopropyl ester

Conditions

Conditions	Yield
With Oxone; toluene-4-sulfonic acid at 65℃; for 2h;	85%

: 201230-82-2
carbon monoxide

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

: 67-63-0
isopropyl alcohol

: 6938-94-9
adipic acid diisopropyl ester

Conditions

Conditions	Yield
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;	73%
With palladium(II) trifluoroacetate; HeMaRaphos; toluene-4-sulfonic acid In toluene at 120℃; under 30003 Torr; for 24h; regioselective reaction;	83 %Chromat.

...Expand

: 4883-67-4
2-nitrocyclohexanone

: 67-63-0
isopropyl alcohol

: 6938-94-9
adipic acid diisopropyl ester

Conditions

Conditions	Yield
With dipotassium peroxodisulfate; sulfuric acid at 80℃; for 3h;	71%

: 97-99-4
Tetrahydrofurfuryl alcohol

: 6938-94-9
adipic acid diisopropyl ester

A: 97159-24-5
adipic acid isopropyl ester-tetrahydrofurfuryl ester

B: 105-02-2
hexanedioic acid bis-tetrahydrofurfuryl ester

Conditions

Conditions	Yield
With aluminum isopropoxide at 170℃;

...Expand

: 4602-84-0
farnesol

: 6938-94-9
adipic acid diisopropyl ester

A: 935542-35-1
isopropyl farnesyl adipate

B: 935542-33-9
difarnesyl adipate

Conditions

Conditions	Yield
zircornium(IV) n-propoxide In propan-1-ol at 160 - 165℃; under 22.5023 Torr; for 2h; Purification / work up;

...Expand

: 19686-96-5
octane-2,7-diol

: 6938-94-9
adipic acid diisopropyl ester

polymer, iterative tandem catalysis polymerization, ee = 43%, molecular weight = 3.3 kDa (GPC); monomer(s): 2,7-octanediol; diisopropyl adipate: polymer, iterative tandem catalysis polymerization, ee = 43%, molecular weight = 3.3 kDa (GPC); monomer(s): 2,7-octanediol; diisopropyl adipate

Conditions

Conditions	Yield
With Novozym 435; 2,4-dimethyl-3-pentanol; 3 A molecular sieve; Shvo's catalyst In toluene at 70℃; under 210.021 Torr; for 390h; Kinetics;

: 14021-92-2
2,9-decanediol

: 6938-94-9
adipic acid diisopropyl ester

polymer, iterative tandem catalysis polymerization, ee = 46%, molecular weight = 3.7 kDa (GPC); monomer(s): 2,9-decanediol; diisopropyl adipate: polymer, iterative tandem catalysis polymerization, ee = 46%, molecular weight = 3.7 kDa (GPC); monomer(s): 2,9-decanediol; diisopropyl adipate

Conditions

Conditions	Yield
With Novozym 435; 2,4-dimethyl-3-pentanol; 3 A molecular sieve; Shvo's catalyst In toluene at 70℃; under 210.021 Torr; for 310h; Kinetics;

: 6938-94-9
adipic acid diisopropyl ester

: 39997-24-5
2,8-nonanediol

polymer, iterative tandem catalysis polymerization, ee = 41%, molecular weight = 3.7 kDa (GPC); monomer(s): 2,8-nonanediol; diisopropyl adipate: polymer, iterative tandem catalysis polymerization, ee = 41%, molecular weight = 3.7 kDa (GPC); monomer(s): 2,8-nonanediol; diisopropyl adipate

Conditions

Conditions	Yield
With Novozym 435; 2,4-dimethyl-3-pentanol; 3 A molecular sieve; Shvo's catalyst In toluene at 70℃; under 210.021 Torr; for 390h; Kinetics;

: 6938-94-9
adipic acid diisopropyl ester

: 6781-43-7
1,4-bis(1-hydroxyethyl)benzene

polymer, iterative tandem catalysis polymerization, ee = 94%, molecular weight = 8.3 kDa (GPC); monomer(s): 1,1'-(1,4-phenylene)diethanol; diisopropyl adipate: polymer, iterative tandem catalysis polymerization, ee = 94%, molecular weight = 8.3 kDa (GPC); monomer(s): 1,1'-(1,4-phenylene)diethanol; diisopropyl adipate

Conditions

Conditions	Yield
With Novozym 435; 2,4-dimethyl-3-pentanol; 3 A molecular sieve; Shvo's catalyst In toluene at 70℃; under 210.021 Torr; for 171h; Kinetics;

: 6938-94-9
adipic acid diisopropyl ester

: 6781-43-7
1,4-bis(1-hydroxyethyl)benzene

A polymer, iterative tandem catalysis polymerization, ee = 94%, molecular weight = 8.3 kDa (GPC); monomer(s): 1,1'-(1,4-phenylene)diethanol; diisopropyl adipate: polymer, iterative tandem catalysis polymerization, ee = 94%, molecular weight = 8.3 kDa (GPC); monomer(s): 1,1'-(1,4-phenylene)diethanol; diisopropyl adipate

B: 67-63-0
isopropyl alcohol

Conditions

Conditions	Yield
With 2,4-dimethyl-3-pentanol; 3 A molecular sieve; Novozym 435 In toluene at 70℃; under 210.021 Torr; for 171h;	A 97 % Turnov. B n/a

...Expand

: 6938-94-9
adipic acid diisopropyl ester

: 143329-81-1, 143329-82-2, 143394-11-0, 147977-13-7, 6781-44-8
α,α'-dimethyl-1,3-benzenedimethanol

polymer, iterative tandem catalysis polymerization, ee = 92%, molecular weight = 10.7 kDa (GPC); monomer(s): 1,1'-(1,3-phenylene)diethanol; diisopropyl adipate: polymer, iterative tandem catalysis polymerization, ee = 92%, molecular weight = 10.7 kDa (GPC); monomer(s): 1,1'-(1,3-phenylene)diethanol; diisopropyl adipate

Conditions

Conditions	Yield
With Novozym 435; 2,4-dimethyl-3-pentanol; 3 A molecular sieve; Shvo's catalyst In toluene at 70℃; under 210.021 Torr; for 215h; Kinetics;

: 6938-94-9
adipic acid diisopropyl ester

: 143329-81-1, 143329-82-2, 143394-11-0, 147977-13-7, 6781-44-8
α,α'-dimethyl-1,3-benzenedimethanol

A polymer, iterative tandem catalysis polymerization, ee = 92%, molecular weight = 10.7 kDa (GPC); monomer(s): 1,1'-(1,3-phenylene)diethanol; diisopropyl adipate: polymer, iterative tandem catalysis polymerization, ee = 92%, molecular weight = 10.7 kDa (GPC); monomer(s): 1,1'-(1,3-phenylene)diethanol; diisopropyl adipate

B: 67-63-0
isopropyl alcohol

Conditions

Conditions	Yield
With 2,4-dimethyl-3-pentanol; 3 A molecular sieve; Novozym 435 In toluene at 70℃; under 210.021 Torr; for 215h;	A 98 % Turnov. B n/a

...Expand

: 6938-94-9
adipic acid diisopropyl ester

: 143329-81-1, 143329-82-2, 143394-11-0, 147977-13-7, 6781-44-8
α,α'-dimethyl-1,3-benzenedimethanol

polymer, iterative tandem catalysis polymerization, ee = 92%, molecular weight = 7.7 kDa (GPC); monomer(s): 1,1'-(1,3-phenylene)diethanol; diisopropyl adipate: polymer, iterative tandem catalysis polymerization, ee = 92%, molecular weight = 7.7 kDa (GPC); monomer(s): 1,1'-(1,3-phenylene)diethanol; diisopropyl adipate

Conditions

Conditions	Yield
With Novozym 435; 2,4-dimethyl-3-pentanol; 3 A molecular sieve; Shvo's catalyst In toluene at 70℃; under 210.021 Torr; for 121h; Kinetics;

: 6938-94-9
adipic acid diisopropyl ester

: 143329-81-1, 143329-82-2, 143394-11-0, 147977-13-7, 6781-44-8
α,α'-dimethyl-1,3-benzenedimethanol

A polymer, iterative tandem catalysis polymerization, ee = 92%, molecular weight = 7.7 kDa (GPC); monomer(s): 1,1'-(1,3-phenylene)diethanol; diisopropyl adipate: polymer, iterative tandem catalysis polymerization, ee = 92%, molecular weight = 7.7 kDa (GPC); monomer(s): 1,1'-(1,3-phenylene)diethanol; diisopropyl adipate

B: 67-63-0
isopropyl alcohol

Conditions

Conditions	Yield
With 2,4-dimethyl-3-pentanol; 3 A molecular sieve; Novozym 435 In toluene at 70℃; under 210.021 Torr; for 121h;	A 98 % Turnov. B n/a

...Expand

: 6938-94-9
adipic acid diisopropyl ester

: 143329-81-1, 143329-82-2, 143394-11-0, 147977-13-7, 6781-44-8
α,α'-dimethyl-1,3-benzenedimethanol

polymer, iterative tandem catalysis polymerization, ee = 93%, molecular weight = 7.2 kDa (GPC); monomer(s): 1,1'-(1,3-phenylene)diethanol; diisopropyl adipate: polymer, iterative tandem catalysis polymerization, ee = 93%, molecular weight = 7.2 kDa (GPC); monomer(s): 1,1'-(1,3-phenylene)diethanol; diisopropyl adipate

Conditions

Conditions	Yield
With Novozym 435; 2,4-dimethyl-3-pentanol; 3 A molecular sieve; Shvo's catalyst In toluene at 70℃; under 210.021 Torr; for 121h; Kinetics;

: 6938-94-9
adipic acid diisopropyl ester

: 143329-81-1, 143329-82-2, 143394-11-0, 147977-13-7, 6781-44-8
α,α'-dimethyl-1,3-benzenedimethanol

A polymer, iterative tandem catalysis polymerization, ee = 93%, molecular weight = 7.2 kDa (GPC); monomer(s): 1,1'-(1,3-phenylene)diethanol; diisopropyl adipate: polymer, iterative tandem catalysis polymerization, ee = 93%, molecular weight = 7.2 kDa (GPC); monomer(s): 1,1'-(1,3-phenylene)diethanol; diisopropyl adipate

B: 67-63-0
isopropyl alcohol

Conditions

Conditions	Yield
With 2,4-dimethyl-3-pentanol; 3 A molecular sieve; Novozym 435 In toluene at 70℃; under 210.021 Torr; for 121h;	A 97 % Turnov. B n/a

...Expand

: 6938-94-9
adipic acid diisopropyl ester

: 143329-81-1, 143329-82-2, 143394-11-0, 147977-13-7, 6781-44-8
α,α'-dimethyl-1,3-benzenedimethanol

polymer, iterative tandem catalysis polymerization, ee = 95%, molecular weight = 12.3 kDa (GPC); monomer(s): 1,1'-(1,3-phenylene)diethanol; diisopropyl adipate: polymer, iterative tandem catalysis polymerization, ee = 95%, molecular weight = 12.3 kDa (GPC); monomer(s): 1,1'-(1,3-phenylene)diethanol; diisopropyl adipate

Conditions

Conditions	Yield
With Novozym 435; 2,4-dimethyl-3-pentanol; 3 A molecular sieve; Shvo's catalyst In toluene at 70℃; under 210.021 Torr; for 121h; Kinetics;

: 6938-94-9
adipic acid diisopropyl ester

: 143329-81-1, 143329-82-2, 143394-11-0, 147977-13-7, 6781-44-8
α,α'-dimethyl-1,3-benzenedimethanol

A polymer, iterative tandem catalysis polymerization, ee = 95%, molecular weight = 12.3 kDa (GPC); monomer(s): 1,1'-(1,3-phenylene)diethanol; diisopropyl adipate: polymer, iterative tandem catalysis polymerization, ee = 95%, molecular weight = 12.3 kDa (GPC); monomer(s): 1,1'-(1,3-phenylene)diethanol; diisopropyl adipate

B: 67-63-0
isopropyl alcohol

Conditions

Conditions	Yield
With 2,4-dimethyl-3-pentanol; 3 A molecular sieve; Novozym 435 In toluene at 70℃; under 210.021 Torr; for 121h;	A 99 % Turnov. B n/a

...Expand

: 6938-94-9
adipic acid diisopropyl ester

: 143329-81-1, 143329-82-2, 143394-11-0, 147977-13-7, 6781-44-8
α,α'-dimethyl-1,3-benzenedimethanol

polymer, iterative tandem catalysis polymerization, ee = 95%, molecular weight = 4.5 kDa (GPC); monomer(s): 1,1'-(1,3-phenylene)diethanol; diisopropyl adipate: polymer, iterative tandem catalysis polymerization, ee = 95%, molecular weight = 4.5 kDa (GPC); monomer(s): 1,1'-(1,3-phenylene)diethanol; diisopropyl adipate

Conditions

Conditions	Yield
With Novozym 435; 2,4-dimethyl-3-pentanol; 3 A molecular sieve; Shvo's catalyst In toluene at 70℃; under 210.021 Torr; for 223h; Kinetics;

Diisopropyl adipate Consensus Reports

Diisopropyl adipate(6938-94-9) is reported in EPA TSCA Inventory.

Diisopropyl adipate Specification

The Diisopropyl adipate with CAS registry number of 6938-94-9 is also known as Ceraphyl 230. The IUPAC name is Dipropan-2-yl hexanedioate. It belongs to product categories of Fatty Acid Esters (Plasticizer); Functional Materials; Plasticizer. Its EINECS registry number is 230-072-0. In addition, the formula is C₁₂H₂₂O₄ and the molecular weight is 230.30. This chemical is a colorless liquid and soluble in ethanol, acetone, slightly soluble in water. What's more, it is widely used in medicine, spices and cosmetic products.

Physical properties about Diisopropyl adipate are: (1)ACD/LogP: 2.79; (2)ACD/LogD (pH 5.5): 2.79; (3)ACD/LogD (pH 7.4): 2.79; (4)ACD/BCF (pH 5.5): 77.38; (5)ACD/BCF (pH 7.4): 77.38; (6)ACD/KOC (pH 5.5): 782.54; (7)ACD/KOC (pH 7.4): 782.54; (8)#H bond acceptors: 4 ; (9)#Freely Rotating Bonds: 9; (10)Index of Refraction: 1.434; (11)Molar Refractivity: 61.11 cm³; (12)Molar Volume: 234.3 cm³; (13)Surface Tension: 31.1 dyne/cm; (14)Density: 0.982 g/cm³; (15)Flash Point: 109.8 °C; (16)Enthalpy of Vaporization: 49 kJ/mol; (17)Boiling Point: 252.6 °C at 760 mmHg; (18)Vapour Pressure: 0.0192 mmHg at 25 °C.

Preparation of Diisopropyl adipate: it is prepared by reaction of propan-2-ol with 2-nitro-cyclohexanone. The reaction needs reagents K₂S₂O₈, H₂SO₄ at the temperature of 80 °C for 3 hours. The yield is about 71%.

Diisopropyl adipate is prepared by reaction of propan-2-ol with 2-nitro-cyclohexanone.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC(C)OC(=O)CCCCC(=O)OC(C)C
2. InChI: InChI=1S/C12H22O4/c1-9(2)15-11(13)7-5-6-8-12(14)16-10(3)4/h9-10H,5-8H2,1-4H3
3. InChIKey: ZDQWESQEGGJUCH-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	intravenous	640mg/kg (640mg/kg)		U.S. Army, Chemical Corps Medical Laboratories Research Reports. Vol. #256, Pg. 1954,

Product Name

Diisopropyl adipate

Synthetic route

Diisopropyl adipate Consensus Reports

Diisopropyl adipate Specification

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