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Basic information
- CAS
598-05-0- Standard SMILES
CCCOS(=O)(=O)OCCC- InChIKey
JYCKNDWZDXGNBW-UHFFFAOYSA-N- Molecular formula
- C6H14O4S
- Average molar mass
- 182.24 g/mol
- Monoisotopic mass
- 182.06127993
Names & identifiers
- Preferred name
- Sulfuric acid, dipropyl ester
- IUPAC
- dipropyl sulfate
- English name
- DIPROPYL SULFATE
- Molecular formula
- C6H14O4S
- Molecular weight
- 182.24
Names & synonyms
Dipropyl sulfate598-05-0Sulfuric acid, dipropyl esterCCRIS 9256DTXSID6060503JYCKNDWZDXGNBW-UHFFFAOYSA-RefChem:186651DTXCID2042696InChI=1/C6H14O4S/c1-3-5-9-11(7,8)10-6-4-2/h3-6H2,1-2H3di-n-Propyl sulfatesulfuric acid dipropyl esterMFCD00059243
Show more names
PROPYL SULFATE(CH3CH2CH2O)2SO2N-PROPYL SULFATE[Alkylating Agent]alkylatingagent]90+%Dipropyl Sulfate sulfuricacid,dipropylester
Dipropyl sulphatedipropylsulfatdi-n-propylsulfatedipropyl sulfuric aciddi-n-propylsulfuric acidSulphuric acid dipropyl esterSCHEMBL301444AKOS028108566
Database identifiers
- CAS
598-05-0- PubChem CID
- 69015
- DTXSID
DTXSID6060503- EC Number
- 628-985-8
- Nikkaji
- J43.415I
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 154
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 115 °C · 115 °C / 16mmHg
- Density
- 1.109 g/mL · 1.109 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.413
- solubility
- Chloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- clear liquid
- color
- Colorless to Light yellow to Light orange
- BRN
- 1705816 · 1705816
- Stability
- Hygroscopic
- InChI
- 1S/C6H14O4S/c1-3-5-9-11(7,8)10-6-4-2/h3-6H2,1-2H3
- InChIKey
- JYCKNDWZDXGNBW-UHFFFAOYSA-N
- SMILES
- CCCOS(=O)(=O)OCCC
- CAS DataBase Reference
- 598 · 598-05-0
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, 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.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29209090
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8/6.1
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- packing_group
- II
- Hazard statements
- H301+H311+H331-H314
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralEye Dam. 1Skin Corr. 1B
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationSulfuric acid, dipropyl ester: INACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers48 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Related reactions
11 records
Compound notes
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