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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
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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: GASTRITIS GASTROINTESTINAL: ULCERATION OR BLEEDING FROM DUODENUM | Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. |
| rat | LD50 | oral | > 43gm/kg (43000mg/kg) | GASTROINTESTINAL: OTHER CHANGES BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | 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.