DOTA-tri-t-Bu-ester, 95%+

Name: DOTA-tri-t-Bu-ester, 95%+
Brand: Vaqora Chemicals
SKU: VQ-000349

About DOTA-tri-t-Bu-ester, 95%+

DOTA-tri-t-Bu-ester is an indicator in Puriss grade carrying the CAS registry number 137076-54-1, specified at ≥95% purity. The compound has the formula C28H52N4O8, corresponding to a molecular weight of 572.7 g/mol. Its systematic (IUPAC) name is 2-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid. Alternative names: DOTA-tri(t-butyl ester) and DOTA(OtBu)3.

It is supplied as a white powder. Store sealed in a dry, well-ventilated location away from incompatible materials. Under GHS it is labelled “Warning”, so handle it with suitable PPE and consult the SDS.

Typical applications include titration end-point detection, pH determination and analytical testing. Typical end-use sectors are academic and industrial research.

Available in 100 mg, 1 g, 25 g and 1 kg packs, DOTA-tri-t-Bu-ester is dispatched with a Certificate of Analysis (COA) to destinations worldwide. SDS and detailed specification sheets can be requested with your quotation.

Typical applications

Titration end-point detection
pH determination
Analytical testing

Industries

Specifications & identifiers

Chemical identifiers
Product name	DOTA-tri-t-Bu-ester, 95%+
Catalogue No.	VQ-000349
CAS Number	137076-54-1
IUPAC name	2-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Molecular formula	C₂₈H₅₂N₄O₈
Molecular weight	572.7 g/mol
Exact mass	572.3785
Grade	Puriss
Purity / assay	≥95%
HSN code	29420090
InChIKey	RVUXZXMKYMSWOM-UHFFFAOYSA-N
SMILES	CC(C)(C)OC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)O
PubChem CID	11606627

Physical properties
Physical form	Powder
Appearance	White powder
LogP (XLogP3)	0.2
H-bond donors / acceptors	1 / 12
TPSA	129 Å²
Synonyms	Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate, DOTA-tri(t-butyl ester), 2-(4,7,10-Tris(2-(tert-butoxy)-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl)acetic acid, DOTA(OtBu)3, DOTA(OBu-t)3, DOTA(OtBu) hydrobromide salt, 2-[4,7,10-tris(2-tert-butoxy-2-oxo-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid, 2-{4,7,10-tris[2-(tert-butoxy)-2-oxoethyl]-1,4,7,10-tetraazacyclododecan-1-yl}acetic acid, DOTA-tris (t-Bu ester) (~90%), DOTA-Tris(tBu), Tri-tert-Bu-DOTA, DOTA-tris(t-Bu)ester

Safety & hazard information (GHS)

Harmful / irritant

Signal word: Warning

Hazard statements

H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation

Precautionary statements: P261, P264, P264 + P265, P271, P280, P302 + P352, P304 + P340, P305 + P351 + P338, P319, P321, P332 + P317, P337 + P317, P362 + P364, P403 + P233, P405, P501

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of DOTA-tri-t-Bu-ester, 95%+?

The CAS Registry Number of DOTA-tri-t-Bu-ester, 95%+ is 137076-54-1. It is also known as Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate, DOTA-tri(t-butyl ester), 2-(4,7,10-Tris(2-(tert-butoxy)-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl)acetic acid.

What is the molecular formula and molecular weight of DOTA-tri-t-Bu-ester, 95%+?

DOTA-tri-t-Bu-ester, 95%+ has the molecular formula C28H52N4O8 and a molecular weight of 572.7 g/mol. Its IUPAC name is 2-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid.

Which grade and pack sizes of DOTA-tri-t-Bu-ester, 95%+ can I order?

We supply DOTA-tri-t-Bu-ester, 95%+ in Puriss (≥95%) grade, in 100 mg, 1 g, 25 g, 1 kg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with DOTA-tri-t-Bu-ester, 95%+?

Yes. Every lot of DOTA-tri-t-Bu-ester, 95%+ is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can DOTA-tri-t-Bu-ester, 95%+ be shipped internationally?

Yes. DOTA-tri-t-Bu-ester, 95%+ is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.