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| CAS No.: | 625-22-9 |
|---|---|
| Name: | DI-N-BUTYL SULFATE |
| Article Data: | 1 |
| Molecular Structure: | |
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|
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| Formula: | C8H18 O4 S |
| Molecular Weight: | 210.295 |
| Synonyms: | Di-n-butylsulfate; Dibutyl sulfate |
| Density: | 1.062 g/mL at 20 °C(lit.) |
| Melting Point: | -79.7°C |
| Boiling Point: | 115-116°C 6mm |
| Flash Point: | 115-116°C/6mm |
| Hazard Symbols: | 1707498 |
| Risk Codes: | 1707498 |
| Safety: | Poison by ingestion. Mildly toxic by subcutaneous route. Questionable carcinogen with experimental tumorigenic data. See also ESTERS and SULFATES. When heated to decomposition it emits toxic fumes of SOx. |
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Chemistry
Product Name: Sulfuric acid, dibutyl ester (CAS NO.625-22-9)
Molecular Formula: C8H18O4S
Molecular Weight: 210.29g/mol
Mol File: 625-22-9.mol
Boiling point: 285.1 °C at 760 mmHg
Flash Point: 126.2 °C
Density: 1.062 g/mL at 20 °C(lit.)
Refractive index: n20/D 1.421
Surface Tension: 35 dyne/cm
Enthalpy of Vaporization: 50.3 kJ/mol
Vapour Pressure: 0.00493 mmHg at 25°C
XLogP3-AA: 2.2
H-Bond Donor: 0
H-Bond Acceptor: 4
Structure Descriptors of Sulfuric acid, dibutyl ester (CAS NO.625-22-9):
IUPAC Name: dibutyl sulfate
Canonical SMILES: CCCCOS(=O)(=O)OCCCC
InChI: InChI=1S/C8H18O4S/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-8H2,1-2H3
InChIKey: LMEDOLJKVASKTP-UHFFFAOYSA-N
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LDLo | oral | 192mg/kg (192mg/kg) | BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) GASTROINTESTINAL: OTHER CHANGES | Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 47, Pg. 113, 1902. |
| rat | LD50 | subcutaneous | 5gm/kg (5000mg/kg) | Zeitschrift fuer Krebsforschung. Vol. 74, Pg. 241, 1970. |
Safety Profile
Poison by ingestion. Mildly toxic by subcutaneous route. Questionable carcinogen with experimental tumorigenic data. See also ESTERS and SULFATES. When heated to decomposition it emits toxic fumes of SOx.
Safety Information of Sulfuric acid, dibutyl ester (CAS NO.625-22-9):
Hazard Codes: Xn
Risk Statements: 22
22: Harmful if swallowed
Safety Statements: 28-36/37/39
28: After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer)
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
Specification
Sulfuric acid, dibutyl ester ,its CAS NO. is 625-22-9,the synonyms is 4-01-00-01523 (Beilstein Handbook Reference) ; BRN 1707498 ; CCRIS 9255 ; Di-n-butylsulfat ; Dibutyl sulfate .