Identifiers & Physical Properties
| CAS No. | 27195-67-1 |
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| Molecular formula | C8H16 |
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| Average molar mass | 112.21 g/mol |
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| Monoisotopic mass | 112.12520051 g/mol |
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| SMILES | CC1(C)CCCCC1 |
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| InChIKey | QEGNUYASOUJEHD-UHFFFAOYSA-N |
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| PubChem CID | 11549 |
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| ChEBI | CHEBI:229279 |
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| EC No. | 209-687-3 |
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| DTXSID | DTXSID1074832 |
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Chemical & Physical Properties
| XLogP | 3.9 |
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| Topological polar surface area | 0 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 0 |
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| Rotatable bonds | 0 |
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| Heavy atoms | 8 |
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| Formal charge | 0 |
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| Complexity | 64.1 |
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| Solvents | Solvents -> Aliphatics, Saturated (<C12) |
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| SpringerMaterials Properties | Schoenflies notation |
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| Vapor pressure | 22.7 [mmHg] |
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| Physical Description | Clear colorless liquid[Sigma-Aldrich MSDS] |
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| Melting point | -33.3 °C |
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| Boiling point | 119.6 °C |
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| Density | 0.798 g/cm3(Temp: 15 °C) |
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Safety & Regulations
| GHS classification | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| Fire hazards | · HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. |
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| Health hazards | CAUTION: Petroleum crude oil (UN1267) may contain TOXIC hydrogen sulphide gas. |
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| Hazards summary | May cause irritation[Sigma-Aldrich MSDS] See Cyclohexane. |
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| DOT ID and guide | 2263 128 |
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| DOT Hazard Classification | DimethylcyclohexanesUN2263Class 3 Flammable and combustible liquid (49 eCFR § 173.120)PG II: the degree of danger presented by the material is medium |
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| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
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| Accidental release measures | · CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. |
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| First aid | General First Aid: |
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| Exposure control and personal protection | · Wear positive pressure self-contained breathing apparatus (SCBA). |
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| Isolation and Evacuation | Immediate precautionary measure |
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| Emergency Response Planning Guidelines | CAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient. |
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| Adverse effects | Neurotoxin - Acute solvent syndrome |
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