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Substance Name: n-Octane
RN: 111-65-9
UNII: X1RV0B2FJV
InChIKey: TVMXDCGIABBOFY-UHFFFAOYSA-N
Classification Codes
- TWA (300 ppm)
- TWA 500 ppm (2350 mg/m3)
Molecular Formula
- C8-H18
Molecular Weight
- 114.23
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- n-Octane
- Octane
Synonyms
- AI3-28789
- EC 203-892-1
- EINECS 203-892-1
- HSDB 108
- n-Octane
- NSC 9822
- Octane
- Oktan
- Oktan [Polish]
- Oktanen
- Oktanen [Dutch]
- Ottani
- Ottani [Italian]
- UNII-X1RV0B2FJV
Systematic Name
- Octane
Superlist Names
- Octane
- Octane, all isomers
Registry Numbers
CAS Registry Number
- 111-65-9
FDA UNII
- X1RV0B2FJV
Other Registry Number
- 31372-91-5
System Generated Number
- 0000111659
Structure Descriptors
InChI
1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3InChIKey
TVMXDCGIABBOFY-UHFFFAOYSA-NSmiles
C(CCCC)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LDLo | intravenous | 428mg/kg (428mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) | Acta Pharmacologica et Toxicologica. Vol. 37, Pg. 56, 1975. |
| rat | LC50 | inhalation | 118gm/m3/4H (118000mg/m3) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 23, 1988. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -5.68E+01 | deg C | EXP | |
| Boiling Point | 125.6 | deg C | EXP | |
| log P (octanol-water) | 5.18 | (none) | EXP | |
| Water Solubility | 0.66 | mg/L | 25 | EXP |
| Vapor Pressure | 14.1 | mm Hg | 25 | EXP |
| Henry's Law Constant | 3.210 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 8.68E-12 | cm3/molecule-sec | 25 | EXP |
Physical property data is provided to ChemIDplus by SRC, Inc.