Di-tert-butyl hydrogen phosphate - ≥95% , CAS No.33494-81-4

CAS: 33494-81-4 Cat. No.: D697679 Molecular Weight: 210.21 PubChem CID: 429756
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Synonyms
Di-tert-butyl phosphate | Phosphoric acid di-tert-butyl ester
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
D697679-250mg
1

$21.90

$32.90
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1g
D697679-1g
1

$57.90

$86.90
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5g
D697679-5g
1

$204.90

$307.90
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10g
D697679-10g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$368.90

$553.90
Save $185.00 (33.40%)
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
Di-tert-butyl phosphate | Phosphoric acid di-tert-butyl ester
Specifications & Purity
≥95%
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥95%
Names and Identifiers
Canonical SmilesCC(C)(C)OP(=O)(O)OC(C)(C)C
IUPAC Nameditert-butyl hydrogen phosphate
InChIKeyYEWZQCDRZRYAEB-UHFFFAOYSA-N
INCHI1S/C8H19O4P/c1-7(2,3)11-13(9,10)12-8(4,5)6/h1-6H3,(H,9,10)
Isomeric SMILES CC(C)(C)OP(=O)(O)OC(C)(C)C
PubChem CID 429756
Molecular Weight 210.21

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClassOrganic phosphoric acids and derivatives
SubclassPhosphate esters
Intermediate Tree Nodes Alkyl phosphates
Direct ParentDialkyl phosphates
Alternative Parents Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Dialkyl phosphate - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as dialkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly two alkyl chain.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot NumberCertificate TypeDateItem
C2611444Certificate of AnalysisJul 23, 2025 D697679
G2508302Certificate of AnalysisJan 08, 2025 D697679
G2508311Certificate of AnalysisJan 08, 2025 D697679
G2508312Certificate of AnalysisJan 08, 2025 D697679
G2508313Certificate of AnalysisJan 08, 2025 D697679
G2508314Certificate of AnalysisJan 08, 2025 D697679
G2508315Certificate of AnalysisJan 08, 2025 D697679
G2508316Certificate of AnalysisJan 08, 2025 D697679
Chemical and Physical Properties
Molecular Weight210.210 g/mol
XLogP31.000
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass210.102 Da
Monoisotopic Mass210.102 Da
Topological Polar Surface Area55.800 Ų
Heavy Atom Count13
Formal Charge0
Complexity191.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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