Isopropyl adipate

Modify Date: 2024-01-02 16:44:48

Isopropyl adipate Structure
Isopropyl adipate structure
Common Name Isopropyl adipate
CAS Number 6938-94-9 Molecular Weight 230.30
Density 1.0±0.1 g/cm3 Boiling Point 252.6±8.0 °C at 760 mmHg
Molecular Formula C12H22O4 Melting Point -1 °C
MSDS N/A Flash Point 109.8±16.9 °C

 Use of Isopropyl adipate


Diisopropyl adipate is an alternative plasticizer and a TRPA1 activator. Diisopropyl adipate activates TRPA1 and enhances FITC-induced contact hypersensitivity (CHS).Diisopropyl adipate also serves as an ingredient in cosmetics and drug formulations topically applied to the skin. Diisopropyl adipate can be used as an excipient, such as emollients, plasticizers. Pharmaceutical excipients, or pharmaceutical auxiliaries, refer to other chemical substances used in the pharmaceutical process other than pharmaceutical ingredients. Pharmaceutical excipients generally refer to inactive ingredients in pharmaceutical preparations, which can improve the stability, solubility and processability of pharmaceutical preparations. Pharmaceutical excipients also affect the absorption, distribution, metabolism, and elimination (ADME) processes of co-administered drugs[1][2].

 Names

Name Adipic Acid Diisopropyl Ester
Synonym More Synonyms

 Isopropyl adipate Biological Activity

Description Diisopropyl adipate is an alternative plasticizer and a TRPA1 activator. Diisopropyl adipate activates TRPA1 and enhances FITC-induced contact hypersensitivity (CHS).Diisopropyl adipate also serves as an ingredient in cosmetics and drug formulations topically applied to the skin. Diisopropyl adipate can be used as an excipient, such as emollients, plasticizers. Pharmaceutical excipients, or pharmaceutical auxiliaries, refer to other chemical substances used in the pharmaceutical process other than pharmaceutical ingredients. Pharmaceutical excipients generally refer to inactive ingredients in pharmaceutical preparations, which can improve the stability, solubility and processability of pharmaceutical preparations. Pharmaceutical excipients also affect the absorption, distribution, metabolism, and elimination (ADME) processes of co-administered drugs[1][2].
Related Catalog
References

[1]. Kurohane K, et al. Adjuvant Effect of an Alternative Plasticizer, Diisopropyl Adipate, on a Contact Hypersensitivity Mouse Model: Link with Sensory Ion Channel TRPA1 Activation. Biol Pharm Bull. 2015;38(7):1054-62.  

[2]. Elder DP, et al. Pharmaceutical excipients - quality, regulatory and biopharmaceutical considerations. Eur J Pharm Sci. 2016 May 25;87:88-99.  

 Chemical & Physical Properties

Density 1.0±0.1 g/cm3
Boiling Point 252.6±8.0 °C at 760 mmHg
Melting Point -1 °C
Molecular Formula C12H22O4
Molecular Weight 230.30
Flash Point 109.8±16.9 °C
Exact Mass 230.151810
PSA 52.60000
LogP 2.79
Vapour Pressure 0.0±0.5 mmHg at 25°C
Index of Refraction 1.435

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AV1575000
CHEMICAL NAME :
Adipic acid, diisopropyl ester
CAS REGISTRY NUMBER :
6938-94-9
BEILSTEIN REFERENCE NO. :
1785346
LAST UPDATED :
199710
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C12-H22-O4
MOLECULAR WEIGHT :
230.34
WISWESSER LINE NOTATION :
1Y1&OV4VOY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 3(3),101,1984 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
640 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
MRLR** U.S. Army, Chemical Corps Medical Laboratories Research Reports. (Army Chemical Center, Edgewood Arsenal, MD) Volume(issue)/page/year: #256,1954 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - A1241 No. of Facilities: 28 (estimated) No. of Industries: 1 No. of Occupations: 3 No. of Employees: 1288 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - A1241 No. of Facilities: 423 (estimated) No. of Industries: 3 No. of Occupations: 4 No. of Employees: 4112 (estimated) No. of Female Employees: 2909 (estimated)

 Safety Information

Risk Phrases R36/37/38
Safety Phrases S26-S36/37/39
RTECS AV1575000
HS Code 2917120090

 Synthetic Route

~86%

Isopropyl adipate Structure

Isopropyl adipate

CAS#:6938-94-9

Literature: Lee, Jong Chan; Ku, Chang Hoe Synlett, 2002 , # 10 p. 1679 - 1680

~71%

Isopropyl adipate Structure

Isopropyl adipate

CAS#:6938-94-9

Literature: Ballini, Roberto; Bosica, Giovanna Tetrahedron, 1997 , vol. 53, # 47 p. 16131 - 16138

~89%

Isopropyl adipate Structure

Isopropyl adipate

CAS#:6938-94-9

Literature: Kazemi, Foad; Kiasat, Ali Reza; Mombaini, Began Phosphorus, Sulfur and Silicon and the Related Elements, 2004 , vol. 179, # 6 p. 1187 - 1191

~67%

Isopropyl adipate Structure

Isopropyl adipate

CAS#:6938-94-9

Literature: Parmar, Anupama; Kaur, Jatinder; Goyal, Rita; Kumar, Baldev; Kumar, Harish Synthetic Communications, 1998 , vol. 28, # 15 p. 2821 - 2826

 Customs

HS Code 2917120090
Summary 2917120090. adipic acid and its salts. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

 Synonyms

Hexanedioic acid, bis(1-methylethyl) ester
MFCD00026391
Diisopropyl adipate
bis(1-methylethyl) hexanedioate
Adipic acid diisopropyl ester
Adipic acid isopropyl ester
Adipic acid, diisopropyl ester
Diisopropyl hexanedioate
Isopropyl adipate
EINECS 230-072-0
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