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1,5-Pentane-d10-diol , CAS No.1219804-42-8

COA

Grade & Purity:

≥98%(CP),≥98 atom% D

Cas Number: 1219804-42-8
Molecular Weight: 114.21
EC Number: 203-854-4
PubChem CID: 8105

In stock

Item Number

P757533

Grouped product items
SKU	Size	Availability	Price
P757533-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$49.90
P757533-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$129.90
P757533-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$339.90

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Stable Isotopes (128)

Basic Description

Synonyms	1,5-Pentane-1,1,2,2,3,3,4,4,5,5-d10-diol \| 1,5-Pentane-d10-diol \| 1,5-Pentanediol-d10 \| 1,5-Pentanediol-D10 \| 1,5-Dihydroxypentane-d10 \| 1,5-Pentamethylene-d10 glycol \| 1,5-Pentamethylene glycol-d10 \| Pentamethylene glycol-d10 \| Pentylene glycol-d10
Specifications & Purity	≥98%(CP),≥98 atom% D
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	1,5-Dihydroxypentane-d10 is the deuterium labeled 1,5-Dihydroxypentane.

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	pentane-1,5-diol
INCHI	InChI=1S/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H2
InChIKey	ALQSHHUCVQOPAS-UHFFFAOYSA-N
Smiles	C(CCO)CCO
Isomeric SMILES	C(CCO)CCO
Alternate CAS	111-29-5；31784-47-1；111-29-5（unlabelled）
NSC Number	5927
MeSH Entry Terms	1,5-pentanediol;1,5-pentanediol, disodium salt;1,5-pentanediol, sodium salt;1,5-pentanediol, titanium (4+) salt (4:1);pentane-1,5-diol
Molecular Weight	114.21
Reaxy-Rn	1560130
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1560130&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Moisture sensitive.
Molecular Weight	104.150 g/mol
XLogP3	-0.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	104.084 Da
Monoisotopic Mass	104.084 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	25.300
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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