|
|
|
Substance Name: 3-Octanol
RN: 589-98-0
UNII: 73DZ0U3U1E
InChIKey: NMRPBPVERJPACX-UHFFFAOYSA-N
Classification Code
- Skin / Eye Irritant
Molecular Formula
- C8-H18-O
Molecular Weight
- 130.229
- 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
- 3-Octanol
Synonyms
- 1-Ethylhexanol
- 3-Octanol (natural)
- AI3-37213
- Amyl ethyl carbinol
- Amylethylcarbinol
- D-n-Octanol
- EINECS 209-667-4
- EINECS 243-713-4
- Ethyl amyl carbinol
- Ethyl-n-amylcarbinol
- Ethylamylcarbinol
- FEMA No. 3581
- Octanol-3
- UNII-73DZ0U3U1E
Systematic Names
- (1)-Octan-3-ol
- 3-Octanol
Superlist Name
- 3-Octanol
Registry Numbers
CAS Registry Number
- 589-98-0
FDA UNII
- 73DZ0U3U1E
Other Registry Number
- 20296-29-1
System Generated Number
- 0000589980
Structure Descriptors
InChI
InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3InChIKey
NMRPBPVERJPACX-UHFFFAOYSA-NSmiles
CCCCCC(O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 881, 1979. | |
| rat | LD50 | oral | > 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 881, 1979. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -4.50E+01 | deg C | EXP | |
| Boiling Point | 171 | deg C | EXP | |
| log P (octanol-water) | 2.730 | (none) | EST | |
| Water Solubility | 1380 | mg/L | 25 | EST |
| Vapor Pressure | 0.256 | mm Hg | 25 | EXP |
| Henry's Law Constant | 3.10E-05 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 1.73E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.