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Substance Name: n-Hexane
RN: 110-54-3
UNII: 2DDG612ED8
InChIKey: VLKZOEOYAKHREP-UHFFFAOYSA-N
Molecular Formula
- C6-H14
Molecular Weight
- 86.1766
- All
- Classifications
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
Classification Codes
Classification Codes
- Adhesives
- Human Data
- Mutation Data
- Reproductive Effect
- Skin / Eye Irritant
- Tumor Data
Superlist Classification Codes
- Reportable Quantity (RQ) = 5000 lb
- TWA (50 ppm); skin; BEI
- TWA 500 ppm (1800 mg/m3)
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Names and Synonyms
Name of Substance
- Hexane
- n-Hexane
Synonyms
- AI3-24253
- CCRIS 6247
- Dipropyl
- EC 203-777-6
- EINECS 203-777-6
- Esani
- Esani [Italian]
- Gettysolve-B
- Heksan
- Heksan [Polish]
- Hexane
- Hexanen
- Hexanen [Dutch]
- Hexyl hydride
- HSDB 91
- NCI-C60571
- NSC 68472
- Skellysolve B
- UNII-2DDG612ED8
Systematic Names
- Hexane
- n-Hexane
Superlist Names
- Hexane
- Hexanes
- Hexanes [UN1208] [Flammable liquid]
- n-Hexane
- UN1208
Registry Numbers
CAS Registry Number
- 110-54-3
FDA UNII
- 2DDG612ED8
Other Registry Number
- 8031-34-3
System Generated Number
- 0000110543
Structure Descriptors
InChI
InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3InChIKey
VLKZOEOYAKHREP-UHFFFAOYSA-NSmiles
CCCCCCToxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| human | TCLo | inhalation | 190ppm/8W (190ppm) | PERIPHERAL NERVE AND SENSATION: STRUCTURAL CHANGE IN NERVE OR SHEATH | American Journal of Industrial Medicine. Vol. 10, Pg. 111, 1986. |
| mouse | LCLo | inhalation | 120gm/m3 (120000mg/m3) | LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION CARDIAC: OTHER CHANGES BEHAVIORAL: GENERAL ANESTHETIC | Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 143, Pg. 223, 1929. |
| mouse | LDLo | intravenous | 831mg/kg (831mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) | Acta Pharmacologica et Toxicologica. Vol. 37, Pg. 56, 1975. |
| rabbit | LDLo | intravenous | 132mg/kg (132mg/kg) | Haematologica. Vol. 58, Pg. 491, 1973. | |
| rat | LC50 | inhalation | 48000ppm/4H (48000ppm) | Annual Review of Pharmacology and Toxicology. Vol. 22, Pg. 145, 1982. | |
| rat | LD50 | oral | 25gm/kg (25000mg/kg) | Industrial Health. Vol. 32, Pg. 145, 1994. | |
| rat | LDLo | intraperitoneal | 9100mg/kg (9100mg/kg) | Toxicology and Applied Pharmacology. Vol. 1, Pg. 156, 1959. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -9.53E+01 | deg C | EXP | |
| Boiling Point | 68.7 | deg C | EXP | |
| log P (octanol-water) | 3.9 | (none) | EXP | |
| Water Solubility | 9.5 | mg/L | 25 | EXP |
| Vapor Pressure | 151 | mm Hg | 25 | EXP |
| Henry's Law Constant | 1.800 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 5.61E-12 | cm3/molecule-sec | 25 | EXP |
Physical property data is provided to ChemIDplus by SRC, Inc.