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1,3-Propane-d6-diol - ≥98%(CP),≥98 atom% D, high purity , CAS No.284474-77-7

COA

Grade & Purity:

≥98%(CP),≥98 atom% D

Cas Number: 284474-77-7
Molecular Weight: 82.13
MDL number: MFCD01074057
PubChem CID: 57882501

In stock

Item Number

P757242

Grouped product items
SKU	Size	Availability	Price
P757242-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$49.90
P757242-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$149.90
P757242-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$399.90

View related series

Stable isotope (189)

Basic Description

Synonyms	1,3-Dihydroxypropane-d6 \| 1,3-Propylene Glycol-d6 \| 1,3-Propylenediol-d6
Specifications & Purity	≥98%(CP),≥98 atom% D
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	1,3-Propanediol-d6 is the deuterium labeled 1,3-Propanediol. 1,3-Propanediol is produced in nature by the fermentation of glycerol in microorganism.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Alcohols and polyols

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Alcohols and polyols
Intermediate Tree Nodes	Not available
Direct Parent	Primary alcohols
Alternative Parents	Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).
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	1,1,2,2,3,3-hexadeuteriopropane-1,3-diol
INCHI	InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2/i1D2,2D2,3D2
InChIKey	YPFDHNVEDLHUCE-NMFSSPJFSA-N
Smiles	C(CO)CO
Isomeric SMILES	[2H]C([2H])(C([2H])([2H])O)C([2H])([2H])O
Alternate CAS	504-63-2（unlabelled）
Molecular Weight	82.13
Reaxy-Rn	969155
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969155&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	82.130 g/mol
XLogP3	-1.000
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	82.0901 Da
Monoisotopic Mass	82.0901 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	12.400
Isotope Atom Count	6
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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