Dipropyl sulfate - CAS 598-05-0

Catalog:	BB030511
Product Name:	Dipropyl sulfate
CAS:	598-05-0
Synonyms:	dipropyl sulfate

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Computed Properties

IUPAC Name:	dipropyl sulfate
Description:	Dipropyl sulfate (CAS# 598-05-0) is a useful research chemical.
Molecular Weight:	182.24
Molecular Formula:	C6H14O4S
Canonical SMILES:	CCCOS(=O)(=O)OCCC
InChI:	InChI=1S/C6H14O4S/c1-3-5-9-11(7,8)10-6-4-2/h3-6H2,1-2H3
InChI Key:	JYCKNDWZDXGNBW-UHFFFAOYSA-N
Boiling Point:	250.4 ℃ at 760 mmHg
Density:	1.109 g/mL at 20 ℃ (lit.)
MDL:	MFCD00059243
LogP:	2.16520

Publication Number	Title	Priority Date
JP-2021138663-A	Moisturizer	20200306
WO-2021166877-A1	Non-aqueous electrolyte power storage element, and method for manufacturing non-aqueous electrolyte power storage element	20200221
JP-2021128201-A	Coloring compositions and color filters for color filters	20200212
US-10889557-B1	Method of producing an alkoxyflavone derivative	20191226
WO-2021117549-A1	Non-aqueous electrolyte secondary battery	20191213

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.06128010
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	182.06128010
Rotatable Bond Count:	6
Topological Polar Surface Area:	61 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5