HuagongsheHuagongshe Chemistry Print Report · For research reference only
Dibutyl butylphosphonate
DBBP · tc44 · nsc2666 · DIBUTYL BUTYLPHOSPHONATE · dibutylbutanephosphonate · Dibutyl butanephosphonate · Butylphosphonic acid dibutyl · Dibutoxybutylphosphine oxide
Identifiers & Physical Properties
| CAS No. | 78-46-6 |
|---|---|
| Molecular formula | C12H27O3P |
| Average molar mass | 250.31 g/mol |
| Monoisotopic mass | 250.16978135 g/mol |
| SMILES | CCCCOP(=O)(CCCC)OCCCC |
| InChIKey | JPGXOMADPRULAC-UHFFFAOYSA-N |
| PubChem CID | 6539 |
| EC No. | 201-119-2 |
| DTXSID | DTXSID6052536 |
Chemical & Physical Properties
| XLogP | 3.2 |
|---|---|
| Topological polar surface area | 35.5 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 11 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 181 |
| Chemical classes | Other Classes -> Organophosphates, Other |
| SpringerMaterials Properties | Chemical shift |
| Odor | MILD |
| Density | 0.948 @ 20 °C/4 °C0.948 @ 20°C0.946 g/mL at 25 °C(lit.) |
| Color/Form | COLORLESS LIQ |
| Solubility | INSOL IN WATERMISCIBLE WITH MOST COMMON ORG SOLVENTS0.5g/L(25 ºC) |
| Flash point | 310 °F OC>230 °F |
| Boiling point | 127-128 °C @ 2.5 MM HG283 °C(lit.) |
| Decomposition | WHEN HEATED TO DECOMP, IT EMITS HIGHLY TOXIC FUMES OF OXIDES OF PHOSPHORUS... |
| Vapor density | 8.62 |
| Physical Description | Colorless liquid[HSDB] |
| Stability/Shelf Life | STABLE |
| Refractive index | n20/D 1.432(lit.) |
| BRN | 1777999 |
| InChI | InChI=1S/C12H27O3P/c1-4-7-10-14-16(13,12-9-6-3)15-11-8-5-2/h4-12H2,1-3H3 |
| InChIKey | JPGXOMADPRULAC-UHFFFAOYSA-N |
| SMILES | P(CCCC)(=O)(OCCCC)OCCCC |
| Surface tension | 27.4mN/m at 298.15K |
| CAS DataBase Reference | 78-46-6 |
| EWG's Food Scores | 1 |
| FDA UNII | 5GO20BIE6O |
| NIST Chemistry Reference | Phosphonic acid, butyl-, dibutyl ester(78-46-6) |
| EPA Substance Registry System | Phosphonic acid, butyl-, dibutyl ester (78-46-6) |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H412 |
| GHS precautionary statements | P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P273-P501 |
| Water hazard class (WGK) | 3 |
| RTECS number | SZ7000000 |
| TSCA inventory status | TSCA listed |
| Hazardous substances data | 78-46-6(Hazardous Substances Data) |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 97.6% (40 of 41) of all reports.Not ClassifiedAggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatory information | Chemical: Phosphonic acid, butyl-, dibutyl esterPhosphonic acid, butyl-, dibutyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Fire potential | COMBUSTIBLE.FIRE HAZARD: SLIGHT, WHEN EXPOSED TO HEAT OR FLAME. |
| Hazards summary | May cause irritation[MSDSonline] |
| Hazard Classes and Categories | Not Classified |
| Hazardous Reactivities and Incompatibilities | ...IT CAN REACT VIGOROUSLY WITH OXIDIZING MATERIALS. |
| Fire fighting procedures | TO FIGHT FIRE: FOAM, CARBON DIOXIDE, DRY CHEMICAL... |
| Storage conditions | IN GENERAL, MATERIALS WHICH ARE TOXIC AS STORED OR WHICH CAN DECOMP INTO TOXIC COMPONENTS...SHOULD BE STORED IN A COOL, WELL-VENTILATED PLACE, OUT OF DIRECT RAYS OF THE SUN, AWAY FROM AREAS OF HIGH FIRE HAZARD, & SHOULD BE PERIODICALLY INSPECTED... INCOMPATIBLE MATERIALS SHOULD BE ISOLATED FROM EACH OTHER. |
| Protective Action Criteria (PAC) | 0.18 [mg/m3]2.0 [mg/m3]12 [mg/m3] |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| RTECS number | SZ7000000 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| GHS hazard statements | H315-H319-H412 |
| GHS precautionary statements | P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P273-P501 |
| Hazardous substances data | 78-46-6(Hazardous Substances Data) |
Applications & Uses
Uses
Dibutyl Butylphosphonate is a reagent used in organic synthesis. It is used for uranium extractions as well as in the plasticizing industry.