Isopropyl adipate

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

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].

Name	Adipic Acid Diisopropyl Ester
Synonym	More Synonyms

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	Signaling Pathways >> Membrane Transporter/Ion Channel >> TRP Channel Research Areas >> Others
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.

Description

Related Catalog

Signaling Pathways >> Membrane Transporter/Ion Channel >> TRP Channel

Research Areas >> Others

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.

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

Isopropyl adipate MSDS(Chinese)

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)

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

Isopropanol

CAS#:67-63-0

2-oxocyclohexyl...

CAS#:518068-80-9

~86%

Isopropyl adipate

CAS#:6938-94-9

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

2-NITROCYCLOHEXANONE

CAS#:4883-67-4

Isopropanol

CAS#:67-63-0

~71%

Isopropyl adipate

CAS#:6938-94-9

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

Adipic acid

CAS#:124-04-9

Isopropanol

CAS#:67-63-0

~89%

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

Adipic acid

CAS#:124-04-9

~67%

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

Precursor 4
CAS#:67-63-0 Isopropanol CAS#:518068-80-9 2-oxocyclohexyl... CAS#:4883-67-4 2-NITROCYCLOHEXANONE CAS#:124-04-9 Adipic acid
DownStream 2
CAS#:97159-24-5 adipic acid iso... CAS#:105-02-2 Hexanedioic aci...

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%

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

Shanghai Jizhi Biochemical Technology Co., Ltd
China
Product Name: Isopropyl adipate
Price: ￥118.0/5ml
Purity: 98.0%
Stocking Period: 3 Day
Contact: Liu jia

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Diisopropyl adipate
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Stocking Period: Inquiry
Contact: Ms Wang

Henan Tianfu Chemical Co., Ltd.
China
Product Name: Diisopropyl adipate
Price: $Inquiry/1kg $Inquiry/25kg $Inquiry/1000kg $Inquiry/10ton
Purity: 99.0%
Stocking Period: Inquiry
Contact: Anson

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Isopropyl adipate

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