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(±)-3-tert-Butoxy-1,2-propanediol - ≥97.0% (GC), high purity , CAS No.74338-98-0

COA

Grade & Purity:

≥97%(GC)

Cas Number: 74338-98-0
Molecular Weight: 148.2
MDL number: MFCD00077673
PubChem CID: 5228468

In stock

Item Number

T464511

Grouped product items
SKU	Size	Availability	Price	Qty
T464511-5ml	5ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$323.90

Basic Description

Synonyms	MFCD00077673 \| (+/-)-Glycerol 1-tert-butyl ether \| SCHEMBL116799 \| 3-[(2-methylpropan-2-yl)oxy]propane-1,2-diol \| (+/-)-3-tert-Butoxy-1,2-propanediol \| 3-tert-butoxy-1,2-propane diol \| DTXSID60411618 \| FT-0765284 \| 3-tert-butoxy-1,2-propanediol \| EN300-18
Specifications & Purity	≥97%(GC)
Product Description	Description (±)-3-tert-Butoxy-1,2-propanediol may be used in chemical synthesis studies.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Glycerolipids
    - Subclass Glycerol ethers

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Glycerolipids
Subclass	Glycerol ethers
Intermediate Tree Nodes	Not available
Direct Parent	Glycerol ethers
Alternative Parents	Secondary alcohols 1,2-diols Dialkyl ethers Primary alcohols Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Glycerol ether - Secondary alcohol - 1,2-diol - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as glycerol ethers. These are lipids containing an ether derivative of glycerol.
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

IUPAC Name	3-[(2-methylpropan-2-yl)oxy]propane-1,2-diol
INCHI	InChI=1S/C7H16O3/c1-7(2,3)10-5-6(9)4-8/h6,8-9H,4-5H2,1-3H3
InChIKey	JPWDLYMEUNBLIR-UHFFFAOYSA-N
Smiles	CC(C)(C)OCC(CO)O
Isomeric SMILES	CC(C)(C)OCC(CO)O
PubChem CID	5228468
Molecular Weight	148.2

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	148.200 g/mol
XLogP3	-0.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	148.11 Da
Monoisotopic Mass	148.11 Da
Topological Polar Surface Area	49.700 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	85.300
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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