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Substance Name: Butanedioic acid, diethyl ester
RN: 123-25-1
UNII: ELP55C13DR
InChIKey: DKMROQRQHGEIOW-UHFFFAOYSA-N
Note
- Carboxylesterase substrate.
Classification Code
- Skin / Eye Irritant
Molecular Formula
- C8-H14-O4
Molecular Weight
- 174.1946
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- Butanedioic acid, diethyl ester
- Diethyl butanedioate
- Diethyl succinate
Synonyms
- 4-02-00-01914 (Beilstein Handbook Reference)
- AI3-00682
- BRN 0907645
- Butanedioic acid, diethyl ester
- Clorius (VAN)
- Diethyl butanedioate
- Diethyl ethanedicarboxylate
- Diethyl succinate
- Diethylester kyseliny jantarove
- Diethylester kyseliny jantarove [Czech]
- EINECS 204-612-0
- Ethyl succinate
- FEMA No. 2377
- NSC 8875
- UNII-ELP55C13DR
Systematic Names
- Butanedioic acid, 1,4-diethyl ester
- Butanedioic acid, diethyl ester
- Diethyl succinate
- Succinic acid, diethyl ester
Superlist Name
- Diethyl succinate
Registry Numbers
CAS Registry Number
- 123-25-1
FDA UNII
- ELP55C13DR
Other Registry Number
- 1253690-20-8
System Generated Number
- 0000123251
Structure Descriptors
InChI
InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3InChIKey
DKMROQRQHGEIOW-UHFFFAOYSA-NSmiles
CCOC(=O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | 8530mg/kg (8530mg/kg) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -2.10E+01 | deg C | EXP | |
| Boiling Point | 217.7 | deg C | EXP | |
| log P (octanol-water) | 1.2 | (none) | EXP | |
| Water Solubility | 1.91E+04 | mg/L | 25 | EXP |
| Vapor Pressure | 0.0439 | mm Hg | 25 | EXP |
| Henry's Law Constant | 5.27E-07 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 4.04E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.