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Substance Name: 1-Octanol
RN: 111-87-5
UNII: NV1779205D
InChIKey: KBPLFHHGFOOTCA-UHFFFAOYSA-N
Note
- A colorless, slightly viscous liquid used as a defoaming or wetting agent. It is also used as a solvent for protective coatings, waxes, and oils, and as a raw material for plasticizers. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed)
Molecular Formula
- C8-H18-O
Molecular Weight
- 130.2292
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Classification Codes
- Mutation Data
- Natural Product
- Skin / Eye Irritant
- Solvents
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Names and Synonyms
Name of Substance
- 1-Octanol
- Caprylic alcohol
- n-Octanol
- n-Octyl alcohol
MeSH Heading
- 1-Octanol
Synonyms
- 1-Hydroxyoctane
- 1-Octanol
- AI3-02169
- Alcohol C-8
- Alfol 8
- C8 alcohol
- Caprylic alcohol
- Caswell No. 611A
- CCRIS 9099
- Dytol M-83
- EC 203-917-6
- EINECS 203-917-6
- EPA Pesticide Chemical Code 079037
- EPAL 8
- Fatty alcohol(C8)
- FEMA No. 2800
- FEMA Number 2800
- Heptyl carbinol
- HSDB 700
- Lorol 20
- n-Caprylic alcohol
- n-Octan-1-ol
- n-Octanol
- n-Octyl alcohol
- NSC 9823
- Octanol
- Octilin
- Octyl alcohol (natural)
- Octyl alcohol, normal-primary
- Octyl alcohol, primary
- Primary octyl alcohol
- Sipol L8
- UNII-NV1779205D
Systematic Names
- 1-Octanol
- Octan-1-ol
- Octyl alcohol
Superlist Names
- 1-Octanol
- Octanol
- Octanol (all isomers)
- Octyl alcohol
Registry Numbers
CAS Registry Number
- 111-87-5
FDA UNII
- NV1779205D
Other Registry Number
- 220713-26-8
System Generated Number
- 0000111875
Structure Descriptors
InChI
1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3InChIKey
KBPLFHHGFOOTCA-UHFFFAOYSA-NSmiles
C(CCCC)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| frog | LDLo | parenteral | 1240mg/kg (1240mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 50, Pg. 296, 1935. |
| guinea pig | LD50 | skin | > 1gm/kg (1000mg/kg) | Food and Cosmetics Toxicology. Vol. 11, Pg. 95, 1973. | |
| mammal (species unspecified) | LD50 | unreported | 4gm/kg (4000mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986. | |
| mouse | LD50 | intravenous | 69mg/kg (69mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 330, 1962. | |
| mouse | LD50 | oral | 1790mg/kg (1790mg/kg) | Hygiene and Sanitation Vol. 31(1-3), Pg. 310, 1966. | |
| rat | LCLo | inhalation | 5600mg/m3/4H (5600mg/m3) | LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA BLOOD: HEMORRHAGE LUNGS, THORAX, OR RESPIRATION: STRUCTURAL OR FUNCTIONAL CHANGE IN TRACHEA OR BRONCHI | United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-1088-0762, |
| rat | LD50 | oral | > 3200mg/kg (3200mg/kg) | Food and Cosmetics Toxicology. Vol. 11, Pg. 95, 1973. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -1.55E+01 | deg C | EXP | |
| Boiling Point | 195.1 | deg C | EXP | |
| log P (octanol-water) | 3 | (none) | EXP | |
| Water Solubility | 540 | mg/L | 25 | EXP |
| Vapor Pressure | 0.0794 | mm Hg | 25 | EXP |
| Henry's Law Constant | 2.45E-05 | atm-m3/mole | 25 | EXP |
| Atmospheric OH Rate Constant | 1.44E-11 | cm3/molecule-sec | 25 | EXP |
Physical property data is provided to ChemIDplus by SRC, Inc.