5-(propan-2-yl)-2,3-dihydro-1,2-oxazol-3-one, 95%

Name: 5-(propan-2-yl)-2,3-dihydro-1,2-oxazol-3-one
Brand: Chempure

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CAS Number

10004-47-4

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About this item

IUPAC name	5-propan-2-yl-1,2-oxazol-3-one
inchi	InChI=1S/C6H9NO2/c1-4(2)5-3-6(8)7-9-5/h3-4H,1-2H3,(H,7,8)
inchi key	WKKVFNUVMXLZDZ-UHFFFAOYSA-N
molecular formula	C6H9NO2
synonyms	10004-47-4 3(2H)-Isoxazolone, 5-(1-methylethyl)- 5-isopropyl-3-isoxazolol 5-propan-2-yl-1,2-oxazol-3-one 5-isopropyl-isoxazol-3-ol

Computed Properties

Molecular Weight:	127.14 g/mol
XLogP3:	0.9
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	1
Exact Mass:	127.063328530 g/mol
Monoisotopic Mass:	127.063328530 g/mol
Topological Polar Surface Area:	38.3 Å²
Heavy Atom Count:	9
Formal Charge:	0
Complexity:	160
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
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: AW9798

5-(propan-2-yl)-2,3-dihydro-1,2-oxazol-3-one, 95%

Product No: AW9798

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Product No: AW9798

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NAME AND IDENTIFIERS

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SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?