1-tert-butyl 3-methyl propanedioate, 95%

Name: 1-tert-butyl 3-methyl propanedioate
Brand: Chempure

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CAS Number

42726-73-8

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About this item

IUPAC name	3-O-tert-butyl 1-O-methyl propanedioate
inchi	InChI=1S/C8H14O4/c1-8(2,3)12-7(10)5-6(9)11-4/h5H2,1-4H3
inchi key	XPSYZCWYRWHVCC-UHFFFAOYSA-N
molecular formula	C8H14O4
synonyms	tert-Butyl methyl malonate 42726-73-8 3-O-tert-butyl 1-O-methyl propanedioate 1-tert-butyl 3-methyl propanedioate t-butyl methyl malonate

Computed Properties

Molecular Weight:	174.19 g/mol
XLogP3:	1.1
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	5
Exact Mass:	174.08920892 g/mol
Monoisotopic Mass:	174.08920892 g/mol
Topological Polar Surface Area:	52.6 Å²
Heavy Atom Count:	12
Formal Charge:	0
Complexity:	178
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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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

Product No: CF2805

1-tert-butyl 3-methyl propanedioate, 95%

Product No: CF2805

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Product No: CF2805

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?