HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 78708Generated: November 4, 2026
Isopropyl propyl sulfide
2-methyl-3-thiahexane · 2-(propylthio)propane · propylisopropylsulfide · isopropylpropylsulfide · Isopropylpropyl sulfide · sulfide,isopropylpropyl · 2-propylsulfanylpropane · Propyl isopropyl sulfide
https://huagongshe.com/en/chemical/78708
Identifiers & Physical Properties
| CAS No. | 5008-73-1 |
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| Molecular formula | C6H14S |
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| Average molar mass | 118.24 g/mol |
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| Monoisotopic mass | 118.08162162 g/mol |
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| SMILES | CCCSC(C)C |
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| InChIKey | BDFDQOJJDDORSR-UHFFFAOYSA-N |
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| PubChem CID | 78708 |
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| EC No. | 225-686-0 |
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| DTXSID | DTXSID10198200 |
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Chemical & Physical Properties
| XLogP | 2.6 |
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| Topological polar surface area | 25.3 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 1 |
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| Rotatable bonds | 3 |
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| Heavy atoms | 7 |
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| Formal charge | 0 |
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| Complexity | 33.2 |
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| SpringerMaterials Properties | Boiling point |
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| Melting point | -96.69°C (estimate) |
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| Boiling point | 132 °C |
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| Density | 0.83 |
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| Refractive index | 1.4430 to 1.4460 |
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| Physical state | liquid (estimate) |
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| Color | Colorless to Light yellow |
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| Henry's law constant | 2.8×10-3 mol/(m3Pa) at 25℃, Yaws et al. (2003) |
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| CAS DataBase Reference | 5008-73-1 |
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| FDA UNII | A3V2T3L7XV |
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| GHS pictogram | GHS02,GHS07,GHS05 |
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| Signal word | Danger |
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| GHS hazard statements | H318-H315-H225-H335 |
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| GHS precautionary statements | P280-P305+P351+P338-P310-P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P264-P280-P302+P352-P321-P332+P313-P362 |
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| UN transport number | UN 1993 3/PG III |
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| Customs code | 2930.90.9250 |
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| Hazard class | 3 |
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| Packing group | III |
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Safety & Regulations
| GHS classification | DangerH225 (97.5%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P332+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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Flam. Liq. 2 (97.5%) |
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| UN transport number | UN 1993 3/PG III |
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| Customs code | 2930.90.9250 |
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| Signal word | Danger |
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| GHS pictogram | GHS02,GHS07,GHS05 |
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| Hazard class | 3 |
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| Packing group | III |
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| GHS hazard statements | H318-H315-H225-H335 |
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| GHS precautionary statements | P280-P305+P351+P338-P310-P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P264-P280-P302+P352-P321-P332+P313-P362 |
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