Diisopropyl sulfate
Basic information
- CAS
2973-10-6- Standard SMILES
CC(C)OS(=O)(=O)OC(C)C- InChIKey
HWBLTYHIEYOAOL-UHFFFAOYSA-N- Molecular formula
- C6H14O4S
- Average molar mass
- 182.24 g/mol
- Monoisotopic mass
- 182.0612801
Overview
Diisopropyl Sulfate can cause cancer according to The World Health Organization's International Agency for Research on Cancer (IARC).
Names & identifiers
- Preferred name
- Diisopropyl sulfate
- IUPAC
- dipropan-2-yl sulfate
- English name
- Diisopropyl sulfate
- Molecular formula
- C6H14O4S
- Molecular weight
- 182.24
Names & synonyms
DIISOPROPYL SULFATE2973-10-6Sulfuric acid, bis(1-methylethyl) esterDIISOPROPYLSULFATEIsopropyl sulfateDi-isopropylsulfateDi-isopropylsulphateDiisopropyl tetraoxosulfateSulfuric acid, diisopropyl ester5OX41CNH1CDTXSID3073131RefChem:587912
Show more names
isopropylsulfatedi-isopropylsulfatipropan-2-ylsulfatePulesafu impurity 38DiisopropylSulfate>dipropan-2-yl sulfateDiisopropylsulfate(ep)Cefuroxime Impurity 56
DTXCID9038054221-011-9dipropan-2-yl sulfateDiisopropyl sulphateMFCD01682898DIISOPROPYLSULPHATEEINECS 221-011-9AKOS025293906
Database identifiers
- CAS
2973-10-6- PubChem CID
- 18096
- DTXSID
DTXSID3073131- ChEBI
CHEBI:82320- UNII
- 5OX41CNH1C
- EC Number
- 221-011-9
- Nikkaji
- J48.691D
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 171
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- -19 °C · -19 °C
- Boiling point
- 94 °C · 94 °C / 7mmHg
- Density
- 1.1 · 1.10
- refractive index
- 1.407 · 1.4070-1.4110
- storage temp.
- Freezer
- Water Solubility
- Slightly soluble in water
- solubility
- Chloroform, Methanol (Sparingly)
- form
- clear liquid
- color
- Colorless to Light yellow
- FDA UNII
- 5 OX41CNH1C · 5OX41CNH1C
- Proposition 65 List
- Diisopropyl Sulfate
- IARC
- 2 B · 2B (Vol. 54, 71) 1999
- EPA Substance Registry System
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
H302+H312 (50%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]
P203, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H351: Suspected of causing cancer [Warning Carcinogenicity]
Hazard information
Regulatory InformationHazard Traits - Carcinogenicity
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute toxicity (Oral) - Category 4
Carcinogenicity - Category 2
Toxicology
Carcinogen Classification
Diisopropyl sulfate
Group 2B: Possibly carcinogenic to humans
Volume 54: (1992) Occupational Exposures to Mists and Vapours from Strong Inorganic Acids; and Other Industrial Chemicals
1999
1998
Safety data
- rtecs
- WS8050000
- ridadr
- 1760
- hs_code
- 2930909899
- Signal word
- Danger
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
2 records
Compound notes
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