Tert-Butyl Acetate

CAT: 1596-AR-B02426-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-B02426-01Size:10 Units

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CAS Number

540-88-5

Synonyms

1,1-Dimethylethyl Ester Acetic Acid; 1,1-Dimethylethyl Acetate; 2-Acetoxy-2-methylpropane; Acetic Acid Tert-butyl Ester; NSC 59719; TBAc; Texaco Lead Appreciator; tert-Butyl Acetate; tert-Butyl Ethanoate

Molecular Formula

C6H12O2

Molecular Weight

116.16

API Name

Bestatin

Chemical Information

tert-Butyl acetate

Tert-butyl acetate is a colorless liquid with a mild odor. Floats on water. Produces irritating vapor. (USCG, 1999)

CAS Number	540-88-5
PubChem CID	10908
IUPAC Name	tert-butyl acetate
Molecular Formula	C6H12O2
Molecular Weight	116.16
XLogP	1.8
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	8
Formal Charge	0
Complexity	89

SMILES

CC(=O)OC(C)(C)C

InChI

InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3

InChIKey

WMOVHXAZOJBABW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 540-88-5

CID: 10908

Formula: C6H12O2

MW: 116.16

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	116.16
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	116.083729621
Monoisotopic Mass	116.083729621
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	89.2
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

Related Products

Catalog	Name
AR-M02562-01	Butyl acetate
AR-B08148-01	Tert-Butyl bromide
AR-P02168-01	Tert-Butyl Pitavastatin
AR-M04396-01	Tert-Butyl Triflate
AR-M02550-01	Tert-butyl alcohol
AR-M02948-01	Tert-Butyl Dicarbonate
AR-I04057-01	Tert-Butyl Isocyanate
AR-E02008-01	Tert-Butyl Methanesulphonate
AR-B06495-01	Tert-Butyl Benzenesulfinate
AR-T02720-01	Tert-Butyl Tosylate

Alternative Products

Catalog	Name
sc-251130A	Tert-Butyl acetate
242223-01	Tert-Butyl Acetate 99+%
TRC-B693870-10G	tert-Butyl (Trimethylsilyl)acetate
032605-01	Tert- Butyl Acetate for Synthesis
PC2895	Nonafluoro-tert-butyl acetate
OR72608	Tert-Butyl (Triphenylphosphoranylidene) acetate
467074-01	Tert-Butyl (Trimethylsilyl) acetate
T886481	tert-Butyl Acetate-d12
FCA66648-01	Tert-Butyl 2- (tert-butoxy) acetate
FO139286-01	O-tert-Butyl-L-threonine tert-butyl ester acetate

Tert-Butyl Acetate

Chemical Information

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