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1,2-Propanediol-d₈ - 98 atom% D, high purity , CAS No.80156-55-4

COA

Grade & Purity:

≥98 atom% D

Cas Number: 80156-55-4
Molecular Weight: 84.14
MDL number: MFCD00142484
PubChem CID: 16213271

In stock

Item Number

P472051

Grouped product items
SKU	Size	Availability	Price	Qty
P472051-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,009.90

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Metabolite (5307)

Basic Description

Synonyms	DTXSID90583832 \| 1,2-propanediol-d6 \| 1,2-Propanediol-d8 \| ( inverted exclamation markA)-1,2-Propanediol-d8 \| (~2~H_6_)Propane-1,2-(~2~H_2_)diol \| (+/-)-1,2-Propanediol-d8 \| D99559 \| 1,1,1,2,3,3-hexadeuterio-2,3-dideuteriooxypropane \| 1,2-Propanediol-d8,
Specifications & Purity	≥98 atom% D

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Alcohols and polyols
      - Level5 Polyols
        Level6 1,2-diols

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Alcohols and polyols
Intermediate Tree Nodes	Polyols
Direct Parent	1,2-diols
Alternative Parents	Secondary alcohols Primary alcohols Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Secondary alcohol - 1,2-diol - Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as 1,2-diols. These are polyols containing an alcohol group at two adjacent positions.
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	1,1,1,2,3,3-hexadeuterio-2,3-dideuteriooxypropane
INCHI	InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/i1D3,2D2,3D,4D,5D
InChIKey	DNIAPMSPPWPWGF-INOGVRQUSA-N
Smiles	CC(CO)O
Isomeric SMILES	[2H]C([2H])([2H])C([2H])(C([2H])([2H])O[2H])O[2H]
Molecular Weight	84.14
Reaxy-Rn	1340498
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1340498&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Refractive Index	n20/D 1.432 (lit.)
Flash Point(°F)	224.6 °F - closed cup
Flash Point(°C)	107 °C - closed cup
Boil Point(°C)	187℃ (lit.)
Melt Point(°C)	−60℃ (lit.)
Molecular Weight	84.140 g/mol
XLogP3	-0.900
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	84.1026 Da
Monoisotopic Mass	84.1026 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	20.900
Isotope Atom Count	8
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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