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Substance Name: Ethyl caprylate
RN: 106-32-1
UNII: 81C5MOP582
InChIKey: YYZUSRORWSJGET-UHFFFAOYSA-N
Classification Code
- Skin / Eye Irritant
Molecular Formula
- C10-H20-O2
Molecular Weight
- 172.266
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- Ethyl caprylate
Synonyms
- 4-02-00-00987 (Beilstein Handbook Reference)
- AI3-01977
- BRN 1754470
- Caprylic acid ethyl ester
- EINECS 203-385-5
- Ethyl caprylate
- Ethyl n-octanoate
- Ethyl octanoate
- Ethyl octanoate (natural)
- Ethyl octoate
- Ethyl octylate
- FEMA No. 2449
- NSC 8898
- Octanoic acid, ethyl ester
- UNII-81C5MOP582
Systematic Names
- Ethyl octanoate
- Octanoic acid, ethyl ester
Superlist Names
- Ethyl caprylate
- Ethyl octanoate
- Octanoic acid, ethyl ester
Registry Numbers
CAS Registry Number
- 106-32-1
FDA UNII
- 81C5MOP582
System Generated Number
- 0000106321
Structure Descriptors
InChI
1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3InChIKey
YYZUSRORWSJGET-UHFFFAOYSA-NSmiles
C(CCCCCCC)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | 25960mg/kg (25960mg/kg) | Food and Cosmetics Toxicology. Vol. 14, Pg. 763, 1976. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -4.31E+01 | deg C | EXP | |
| Boiling Point | 208.5 | deg C | EXP | |
| log P (octanol-water) | 3.810 | (none) | EST | |
| Water Solubility | 70.1 | mg/L | 25 | EXP |
| Vapor Pressure | 0.211 | mm Hg | 25 | EST |
| Henry's Law Constant | 1.27E-03 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 8.99E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.