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Substance Name: Heptane
RN: 142-82-5
UNII: 456148SDMJ
InChIKey: IMNFDUFMRHMDMM-UHFFFAOYSA-N
Molecular Formula
- C7-H16
Molecular Weight
- 100.203
- All
- Classifications
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
Classification Codes
Classification Codes
- Drug / Therapeutic Agent
- Human Data
Superlist Classification Codes
- TWA (400 ppm); STEL (500 ppm)
- TWA 500 ppm (2000 mg/m3)
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Names and Synonyms
Results Name
- Heptane
Name of Substance
- Heptane
- n-Heptane
Synonyms
- AI3-28784
- Dipropyl methane
- Dipropylmethane
- EC 205-563-8
- EINECS 205-563-8
- Eptani
- Eptani [Italian]
- Gettysolve-C
- Heptan
- Heptan [Polish]
- Heptanen
- Heptanen [Dutch]
- Heptyl hydride
- HSDB 90
- n-Heptane
- NSC 62784
- Skellysolve C
- UNII-456148SDMJ
Systematic Name
- Heptane
Superlist Names
- Heptane
- Heptanes
- Heptanes [UN1206] [Flammable liquid]
- n-Heptane
- UN1206
Registry Numbers
CAS Registry Number
- 142-82-5
FDA UNII
- 456148SDMJ
Other Registry Numbers
- 44607-13-8
- 8031-33-2
System Generated Number
- 0000142825
Structure Descriptors
InChI
InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3InChIKey
IMNFDUFMRHMDMM-UHFFFAOYSA-NSmiles
CCCCCCCToxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LC | inhalation | > 17937ppm/4H (17937ppm) | National Technical Information Service. Vol. OTS0556754, | |
| human | TCLo | inhalation | 1000ppm/6M (1000ppm) | BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" | "U.S. Bureau of Mines Report of Investigation No. 2979," Patty, F.A., and W.P. Yant, 1929Vol. 2979, Pg. -, 1929. |
| mouse | LCLo | inhalation | 59gm/m3/41M (59000mg/m3) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Biochemische Zeitschrift. Vol. 115, Pg. 235, 1921. |
| mouse | LD50 | intravenous | 222mg/kg (222mg/kg) | Journal of Pharmaceutical Sciences. Vol. 67, Pg. 566, 1978. | |
| rat | LC50 | inhalation | 103gm/m3/4H (103000mg/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 | -9.06E+01 | deg C | EXP | |
| Boiling Point | 98.5 | deg C | EXP | |
| log P (octanol-water) | 4.66 | (none) | EXP | |
| Water Solubility | 3.4 | mg/L | 25 | EXP |
| Vapor Pressure | 46 | mm Hg | 25 | EXP |
| Henry's Law Constant | 2.000 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 7.15E-12 | cm3/molecule-sec | 25 | EXP |
Physical property data is provided to ChemIDplus by SRC, Inc.