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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
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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
1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3InChIKey
NMRPBPVERJPACX-UHFFFAOYSA-NSmiles
C([C@@H](CC)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.