Introduction:Basic information about CAS 6938-94-9|Isopropyl adipate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Isopropyl adipate |
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| CAS Number | 6938-94-9 | Molecular Weight | 230.30 |
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| Density | 1.0±0.1 g/cm3 | Boiling Point | 252.6±8.0 °C at 760 mmHg |
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| Molecular Formula | C12H22O4 | Melting Point | -1 °C |
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| MSDS | / | Flash Point | 109.8±16.9 °C |
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Names
| Name | Adipic Acid Diisopropyl Ester |
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| Synonym | More Synonyms |
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Isopropyl adipate BiologicalActivity
| 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]. |
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| Related Catalog | Signaling Pathways >>Membrane Transporter/Ion Channel >>TRP ChannelResearch Areas >>Others |
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| 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. |
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Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
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| Boiling Point | 252.6±8.0 °C at 760 mmHg |
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| Melting Point | -1 °C |
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| Molecular Formula | C12H22O4 |
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| Molecular Weight | 230.30 |
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| Flash Point | 109.8±16.9 °C |
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| Exact Mass | 230.151810 |
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| PSA | 52.60000 |
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| LogP | 2.79 |
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| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
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| Index of Refraction | 1.435 |
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| InChIKey | ZDQWESQEGGJUCH-UHFFFAOYSA-N |
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| SMILES | CC(C)OC(=O)CCCCC(=O)OC(C)C |
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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 DATAACUTE 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)
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Safety Information
| Risk Phrases | R36/37/38 |
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| Safety Phrases | S26-S36/37/39 |
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| RTECS | AV1575000 |
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| HS Code | 2917120090 |
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Customs
| HS Code | 2917120090 |
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| 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% |
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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 |