HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 12239Generated: October 23, 2026
Sulfuric acid, dibutyl ester
BUTYL SULFATE · DIBUTYL SULFATE · Sulphuric acid dibutyl ester · ButylSulphate · Di-n-butylsulfat · Dibutyl sulphate · n-Butyl sulphate · DI-N-BUTYL SULFATE
https://huagongshe.com/en/chemical/12239
Identifiers & Physical Properties
| CAS No. | 625-22-9 |
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| Molecular formula | C8H18O4S |
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| Average molar mass | 210.29 g/mol |
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| Monoisotopic mass | 210.09258006 g/mol |
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| SMILES | CCCCOS(=O)(=O)OCCCC |
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| InChIKey | LMEDOLJKVASKTP-UHFFFAOYSA-N |
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| PubChem CID | 12239 |
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| EC No. | 613-047-2 |
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| DTXSID | DTXSID80211536 |
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Chemical & Physical Properties
| XLogP | 2.2 |
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| Topological polar surface area | 61 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 8 |
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| Heavy atoms | 13 |
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| Formal charge | 0 |
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| Complexity | 177 |
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| SpringerMaterials Properties | Surface tension |
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| Melting point | -79.7°C |
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| Boiling point | 115-116°C 6mm |
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| Density | 1.062 g/mL at 20 °C(lit.) |
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| Refractive index | n20/D 1.421 |
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| Flash point | 115-116°C/6mm |
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| Physical state | Liquid |
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| BRN | 1707498 |
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| InChI | InChI=1S/C8H18O4S/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-8H2,1-2H3 |
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| InChIKey | LMEDOLJKVASKTP-UHFFFAOYSA-N |
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| SMILES | S(OCCCC)(OCCCC)(=O)=O |
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| CAS DataBase Reference | 625-22-9 |
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| EWG's Food Scores | 1 |
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| GHS pictogram | GHS06,GHS07 |
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| Signal word | Danger |
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| GHS hazard statements | H302-H301 |
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| GHS precautionary statements | P264-P270-P301+P310+P330-P405-P501-P301+P312a-P330-P501a |
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| Hazard symbols | Xn |
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| Risk statements (R) | 22 |
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| Safety statements (S) | 28-36/37/39-60-36-23 |
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| UN transport number | 2810 |
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| Water hazard class (WGK) | 3 |
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| RTECS number | WS7700000 |
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| Hazard class | 6.1 |
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| Packing group | II |
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| Customs code | 29209090 |
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Safety & Regulations
| GHS classification | WarningH302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (97.7%) |
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| Water hazard class (WGK) | 3 |
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| RTECS number | WS7700000 |
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| UN transport number | 2810 |
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| Customs code | 29209090 |
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| Risk statements (R) | 22 |
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| Signal word | Danger |
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| GHS pictogram | GHS06,GHS07 |
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| Hazard symbols | Xn |
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| Safety statements (S) | 28-36/37/39-60-36-23 |
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| Hazard class | 6.1 |
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| Packing group | II |
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| GHS hazard statements | H302-H301 |
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| GHS precautionary statements | P264-P270-P301+P310+P330-P405-P501-P301+P312a-P330-P501a |
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