-
Name
DI-N-BUTYL SULFATE
- EINECS
- CAS No. 625-22-9
- Article Data1
- CAS DataBase
- Density 1.062 g/mL at 20 °C(lit.)
- Solubility
- Melting Point -79.7°C
- Formula C8H18 O4 S
- Boiling Point 115-116°C 6mm
- Molecular Weight 210.295
- Flash Point 115-116°C/6mm
- Transport Information
- Appearance
- 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.
- Risk Codes 1707498
-
Molecular Structure
- Hazard Symbols 1707498
- Synonyms Di-n-butylsulfate; Dibutyl sulfate
- PSA
- LogP
Sulfuric acid, dibutyl ester Chemical Properties
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
Sulfuric acid, dibutyl ester 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. |
Sulfuric acid, dibutyl ester 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
Sulfuric acid, dibutyl ester 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 .
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