4,4-diethyl-3-hydroxyoxolan-2-one, 95%

Name: 4,4-diethyl-3-hydroxyoxolan-2-one
Brand: Chempure

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CAS Number

222609-29-2

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About this item

IUPAC name	4,4-diethyl-3-hydroxyoxolan-2-one
inchi	InChI=1S/C8H14O3/c1-3-8(4-2)5-11-7(10)6(8)9/h6,9H,3-5H2,1-2H3
inchi key	YSEVXTPQLOXXKJ-UHFFFAOYSA-N
molecular formula	C8H14O3
synonyms	4,4-DIETHYL-3-HYDROXYOXOLAN-2-ONE 222609-29-2 DTXSID901260484 4,4-Diethyl-3-hydroxydihydrofuran-2(3H)-one 4,4-Diethyldihydro-3-hydroxy-2(3H)-furanone

Computed Properties

Molecular Weight:	158.19 g/mol
XLogP3:	1.2
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	2
Exact Mass:	158.094294304 g/mol
Monoisotopic Mass:	158.094294304 g/mol
Topological Polar Surface Area:	46.5 Å²
Heavy Atom Count:	11
Formal Charge:	0
Complexity:	161
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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Product No: BT9580

4,4-diethyl-3-hydroxyoxolan-2-one, 95%

Product No: BT9580

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NAME AND IDENTIFIERS

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SAFETY AND HAZARDS

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