|
|
|
Substance Name: Decanedioic acid, diethyl ester
RN: 110-40-7
UNII: I41B9FJK6V
InChIKey: ONKUXPIBXRRIDU-UHFFFAOYSA-N
Note
- Causes contact dermatitis.
Classification Code
- Skin / Eye Irritant
Molecular Formula
- C14-H26-O4
Molecular Weight
- 258.355
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
* denotes mobile formatted website
Links to Resources
NLM Resources (File Locators)
Regulatory Agencies (Superlist Locators)
Other Resources (Internet Locators)
Search for this InChIKey on the Web
Names and Synonyms
Name of Substance
- Decanedioic acid, diethyl ester
- Diethyl decanedioate
- Diethyl sebacate
- Ethyl sebacate
Synonyms
- 4-02-00-02080 (Beilstein Handbook Reference)
- AI3-01970
- Bisoflex DES
- BRN 1790779
- Decanedioic acid, diethyl ester
- Diethyl 1,10-decanedioate
- Diethyl 1,8-octanedicarboxylate
- Diethyl decanedioate
- Diethyl sebacate
- EINECS 203-764-5
- Ethyl sebacate
- Ethyl sebacate (VAN)
- FEMA No. 2376
- NSC 8911
- UNII-I41B9FJK6V
Systematic Names
- Decanedioic acid, 1,10-diethyl ester
- Decanedioic acid, diethyl ester
- Diethyl sebacate
- Sebacic acid, diethyl ester
Superlist Name
- Diethyl sebacate
Registry Numbers
CAS Registry Number
- 110-40-7
FDA UNII
- I41B9FJK6V
System Generated Number
- 0000110407
Structure Descriptors
InChI
InChI=1S/C14H26O4/c1-3-17-13(15)11-9-7-5-6-8-10-12-14(16)18-4-2/h3-12H2,1-2H3InChIKey
ONKUXPIBXRRIDU-UHFFFAOYSA-NSmiles
CCOC(=O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | oral | 7280mg/kg (7280mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED | Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. |
| rat | LD50 | oral | 14470mg/kg (14470mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | 5 | deg C | EXP | |
| Boiling Point | 305 | deg C | EXP | |
| log P (octanol-water) | 4.330 | (none) | EST | |
| Water Solubility | 80 | mg/L | 20 | EXP |
| Henry's Law Constant | 5.35E-06 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 1.25E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.