Identifiers & Physical Properties
| CAS No. | 563-45-1 |
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| Molecular formula | C5H10 |
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| Average molar mass | 70.13 g/mol |
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| Monoisotopic mass | 70.07825032 g/mol |
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| SMILES | C=CC(C)C |
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| InChIKey | YHQXBTXEYZIYOV-UHFFFAOYSA-N |
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| PubChem CID | 11239 |
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| ChEBI | CHEBI:77914 |
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| EC No. | 209-249-1 |
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| DTXSID | DTXSID7060336 |
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Chemical & Physical Properties
| XLogP | 2.2 |
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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 | 1 |
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| Heavy atoms | 5 |
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| Formal charge | 0 |
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| Complexity | 27 |
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| Chemical classes | Other Classes -> Aliphatics, UnsaturatedFlammable agents - 4th degree |
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| SpringerMaterials Properties | Coriolis coupling |
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| Odor | Disagreeable odor |
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| Density | 0.6213 @ 25 °C/4 °C |
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| Color/Form | ... gas |
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| Solubility | Soluble in benzenemiscible in ethanol and ethyl etherIn water, 130 mg/l @ 25 °C. |
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| Flash point | less than 20 °F (NFPA, 2010)-57 °CBELOW 20 °F (BELOW -7 °C) (CLOSED CUP) |
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| Boiling point | 20.1 °C |
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| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
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| Melting point | -168.5 °C |
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| Vapor pressure | 903 mm Hg @ 25 °C |
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| Refractive index | Index of refraction: 1.3643 @ 20 °C/D |
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Safety & Regulations
| GHS classification | DangerH224 (100%): Extremely flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 156 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatory information | Chemical: 1-Butene, 3-methyl-1-Butene, 3-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butene, 3-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
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| DOT label | Flammable Liquid |
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| Fire hazards | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. |
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| Fire potential | HIGHLY FLAMMABLE, DANGEROUS FIRE ... RISKVery dangerous fire hazard when exposed to heat, flame, or oxidizers. |
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| Health hazards | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:CAUTION: Petroleum crude oil (UN1267) may contain TOXIC hydrogen sulphide gas. |
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| Hazards summary | A fire and explosion hazard[Hawley] A skin and eye irritant[CAMEO] An irritant[MSDSonline] |
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| DOT ID and guide | 2561 128 |
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| Reactive group | Hydrocarbons, Aliphatic Unsaturated |
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| Reactivity Alerts | Highly Flammable |
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