Ethyl 2-(Diethoxyphosphoryl)butanoate - CAS 17145-91-4

Catalog:	BB012748
Product Name:	Ethyl 2-(Diethoxyphosphoryl)butanoate
CAS:	17145-91-4
Synonyms:	2-diethoxyphosphorylbutanoic acid ethyl ester; ethyl 2-diethoxyphosphorylbutanoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 2-diethoxyphosphorylbutanoate
Description:	Ethyl 2-(Diethoxyphosphoryl)butanoate (CAS# 17145-91-4) is a useful research chemical.
Molecular Weight:	252.24
Molecular Formula:	C10H21O5P
Canonical SMILES:	CCC(C(=O)OCC)P(=O)(OCC)OCC
InChI:	InChI=1S/C10H21O5P/c1-5-9(10(11)13-6-2)16(12,14-7-3)15-8-4/h9H,5-8H2,1-4H3
InChI Key:	GYUCVQSNZFRDRL-UHFFFAOYSA-N
Boiling Point:	152-154 °C (14 torr)
Density:	1.064 g/cm³
MDL:	MFCD00041347
LogP:	2.59420

Publication Number	Title	Priority Date
EP-3882297-A1	Process for producing polyether carbonate polyols	20200317
WO-2021185710-A1	Process for producing polyether carbonate polyols	20200317
EP-3878885-A1	Process for producing polyether carbonate polyols	20200310
WO-2021180567-A1	Process for preparing polyether carbonate polyols	20200310
EP-3831867-A1	Process for producing polyether carbonate polyols	20191204

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Related Functional Groups

Carbonyl Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[55441-25-3]
1-(2-Cyanophenyl)urea
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	244
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	252.11266076
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	252.11266076
Rotatable Bond Count:	9
Topological Polar Surface Area:	61.8 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4