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Substance Name: 2-Heptanone
RN: 110-43-0
UNII: 89VVP1B008
InChIKey: CATSNJVOTSVZJV-UHFFFAOYSA-N
Molecular Formula
- C7-H14-O
Molecular Weight
- 114.1866
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- Classifications
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- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
Classification Codes
Classification Code
- Skin / Eye Irritant
Superlist Classification Codes
- TWA (50 ppm)
- TWA 100 ppm (465 mg/m3)
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Names and Synonyms
Name of Substance
- 2-Heptanone
Synonyms
- 2-Heptanone
- 2-Heptanone (natural)
- 4-01-00-03318 (Beilstein Handbook Reference)
- AI3-01230
- Amyl methyl ketone
- Amyl-methyl-cetone
- Amyl-methyl-cetone [French]
- BRN 1699063
- Butylacetone
- CCRIS 8809
- EC 203-767-1
- EINECS 203-767-1
- FEMA No. 2544
- FEMA Number 2544
- HSDB 1122
- Ketone C-7
- Ketone, methyl pentyl
- Methyl amyl ketone
- Methyl n-amyl ketone
- Methyl n-pentyl ketone
- Methyl pentyl ketone
- Methyl-amyl-cetone
- Methyl-amyl-cetone [French]
- Methyl-n-amylketone
- n-Amyl methyl ketone
- n-Pentyl methyl ketone
- NSC 7313
- Pentyl methyl ketone
- UNII-89VVP1B008
Systematic Names
- 2-Heptanone
- Heptan-2-one
Superlist Names
- 2-Heptanone
- Amyl methyl ketone
- Methyl amyl ketone
- Methyl n-amyl ketone
- n-Amyl methyl ketone [UN1110] [Flammable liquid]
- UN1110
Registry Numbers
CAS Registry Number
- 110-43-0
FDA UNII
- 89VVP1B008
System Generated Number
- 0000110430
Structure Descriptors
InChI
InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3InChIKey
CATSNJVOTSVZJV-UHFFFAOYSA-NSmiles
CCCCCC(=O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 400mg/kg (400mg/kg) | "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4757, 1982. | |
| mouse | LD50 | oral | 730mg/kg (730mg/kg) | Acta Pharmaceutica Jugoslavica. Vol. 12, Pg. 79, 1962. | |
| rabbit | LD50 | skin | 12600uL/kg (12.6mL/kg) | American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. | |
| rat | LCLo | inhalation | 4000ppm/4H (4000ppm) | American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. | |
| rat | LD50 | intraperitoneal | 800mg/kg (800mg/kg) | "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4757, 1982. | |
| rat | LD50 | oral | 1670mg/kg (1670mg/kg) | Union Carbide Data Sheet. Vol. 8/11/1958, |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -3.50E+01 | deg C | EXP | |
| Boiling Point | 151 | deg C | EXP | |
| log P (octanol-water) | 1.98 | (none) | EXP | |
| Water Solubility | 4300 | mg/L | 25 | EXP |
| Vapor Pressure | 3.86 | mm Hg | 25 | EXP |
| Henry's Law Constant | 1.69E-04 | atm-m3/mole | 25 | EXP |
| Atmospheric OH Rate Constant | 1.17E-11 | cm3/molecule-sec | 25 | EXP |
Physical property data is provided to ChemIDplus by SRC, Inc.