|
|
|
Substance Name: Ethyl nonanoate
RN: 123-29-5
UNII: KSH683S98J
InChIKey: BYEVBITUADOIGY-UHFFFAOYSA-N
Classification Code
- Skin / Eye Irritant
Molecular Formula
- C11-H22-O2
Molecular Weight
- 186.293
- 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
- Ethyl nonanoate
- Ethyl pelargonate
- Nonanoic acid, ethyl ester
Synonyms
- 4-02-00-01019 (Beilstein Handbook Reference)
- AI3-13187
- BRN 1759169
- EINECS 204-615-7
- Ethyl nonanoate
- Ethyl nonanoate (natural)
- Ethyl nonylate
- Ethyl pelargonate
- FEMA No. 2447
- Nonanoic acid, ethyl ester
- NSC 8901
- UNII-KSH683S98J
- Wine ether
Systematic Names
- Ethyl nonanoate
- Nonanoic acid, ethyl ester
Superlist Name
- Ethyl nonanoate
Registry Numbers
CAS Registry Number
- 123-29-5
FDA UNII
- KSH683S98J
System Generated Number
- 0000123295
Structure Descriptors
InChI
1S/C11H22O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-10H2,1-2H3InChIKey
BYEVBITUADOIGY-UHFFFAOYSA-NSmiles
C(CCCCCCCC)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | oral | 24gm/kg (24000mg/kg) | GASTROINTESTINAL: ULCERATION OR BLEEDING FROM DUODENUM GASTROINTESTINAL: GASTRITIS | Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. |
| rat | LD50 | oral | > 43gm/kg (43000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: OTHER CHANGES | Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -3.67E+01 | deg C | EXP | |
| Boiling Point | 227 | deg C | EXP | |
| log P (octanol-water) | 4.300 | (none) | EST | |
| Water Solubility | 29.5 | mg/L | 25 | EXP |
| Vapor Pressure | 0.080 | mm Hg | 25 | EST |
| Henry's Law Constant | 1.69E-03 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 1.04E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.