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1-[bis(2-methylpropoxy)methoxy]-2-methylpropane - ≥95%, high purity , CAS No.16754-49-7

COA

Grade & Purity:

≥95%

Cas Number: 16754-49-7
Molecular Weight: 232.3596
MDL number: MFCD31556131
PubChem CID: 545394

In stock

Item Number

B768266

Grouped product items
SKU	Size	Availability	Price	Qty
B768266-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$693.90
B768266-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,941.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Desiccated
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Ortho esters

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Ortho esters
Intermediate Tree Nodes	Not available
Direct Parent	Ortho esters
Alternative Parents	Carboxylic acid orthoesters Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Ortho ester - Carboxylic acid orthoester - Orthocarboxylic acid derivative - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as ortho esters. These are compounds having the general structure RC(OR')3 ( R' not H), or the structure C(OR')4 ( R' not H).
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

INCHI	InChI=1S/C13H28O3/c1-10(2)7-14-13(15-8-11(3)4)16-9-12(5)6/h10-13H,7-9H2,1-6H3
InChIKey	IVXPLWROXBUJSE-UHFFFAOYSA-N
Smiles	CC(C)COC(OCC(C)C)OCC(C)C
Isomeric SMILES	CC(C)COC(OCC(C)C)OCC(C)C
Molecular Weight	232.3596

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Boil Point(°C)	314.53°C (rough estimate)
Molecular Weight	232.360 g/mol
XLogP3	4.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	9
Exact Mass	232.204 Da
Monoisotopic Mass	232.204 Da
Topological Polar Surface Area	27.700 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	127.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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