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Substance Name: Diethyl adipate
RN: 141-28-6
UNII: 7B19K45L6C
InChIKey: VIZORQUEIQEFRT-UHFFFAOYSA-N
Classification Codes
- Mutation Data
- Reproductive Effect
Molecular Formula
- C10-H18-O4
Molecular Weight
- 202.248
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- Diethyl adipate
Synonyms
- 1,6-Diethyl hexanedioate
- 4-02-00-01960 (Beilstein Handbook Reference)
- Adipic acid, diethyl ester
- AI3-00342
- BRN 1780035
- Diethyl adipate
- Diethyl hexanedioate
- Diethylester kyseliny adipove
- Diethylester kyseliny adipove [Czech]
- EINECS 205-477-0
- Ethyl adipate
- Ethyl delta-carboethoxyvalerate
- Hexanedioic acid, diethyl ester
- HSDB 5413
- NSC 19160
- UNII-7B19K45L6C
Systematic Names
- Adipic acid, diethyl ester
- Diethyl adipate
- Hexanedioic acid, 1,6-diethyl ester
- Hexanedioic acid, diethyl ester
Superlist Name
- Diethyl adipate
Registry Numbers
CAS Registry Number
- 141-28-6
FDA UNII
- 7B19K45L6C
System Generated Number
- 0000141286
Structure Descriptors
InChI
1S/C10H18O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h3-8H2,1-2H3InChIKey
VIZORQUEIQEFRT-UHFFFAOYSA-NSmiles
C(CCCCC(OCC)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 2190mg/kg (2190mg/kg) | Toxicology and Applied Pharmacology. Vol. 32, Pg. 566, 1975. | |
| mouse | LD50 | oral | 8100mg/kg (8100mg/kg) | Toksikologicheskii Vestnik. Vol. (4), Pg. 40, 1994. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -1.98E+01 | deg C | EXP | |
| Boiling Point | 245 | deg C | EXP | |
| log P (octanol-water) | 2.370 | (none) | EST | |
| Water Solubility | 4230 | mg/L | 20 | EXP |
| Henry's Law Constant | 3.63E-06 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 6.86E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.