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Substance Name: 3-Methylcyclohexanone
RN: 591-24-2
UNII: 255L4HTY2B
InChIKey: UJBOOUHRTQVGRU-UHFFFAOYSA-N
Molecular Formula
- C7-H12-O
Molecular Weight
- 112.171
- All
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- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- 3-Methylcyclohexanone
Synonyms
- 2-07-00-00018 (Beilstein Handbook Reference)
- 3-Methylcyclohexanone
- AI3-05634
- BRN 0969804
- Cyclohexanone, 3-methyl-
- EINECS 209-710-7
- Methyl-3 cyclohexanone-1
- Methyl-3 cyclohexanone-1 [French]
- NSC 3709
- UNII-255L4HTY2B
Systematic Names
- 3-Methylcyclohexanone
- Cyclohexanone, 3-methyl-
Registry Numbers
CAS Registry Number
- 591-24-2
FDA UNII
- 255L4HTY2B
Other Registry Number
- 625-96-7
System Generated Number
- 0000591242
Structure Descriptors
InChI
1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3InChIKey
UJBOOUHRTQVGRU-UHFFFAOYSA-NSmiles
C1[C@@H](CCCC1=O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LDLo | intravenous | 310mg/kg (310mg/kg) | VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION CARDIAC: CHANGE IN RATE | Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 236, Pg. 633, 1953. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Boiling Point | 169.5 | deg C | EXP | |
| log P (octanol-water) | 1.540 | (none) | EST | |
| Water Solubility | 1500 | mg/L | 20 | EXP |
| Vapor Pressure | 1.5 | mm Hg | 25 | EXP |
| Henry's Law Constant | 2.18E-05 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 1.71E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.