Skip to the beginning of the images gallery

bicyclo[1.1.1]pentane-1,3-diol - 97%, high purity , CAS No.1312790-52-5

COA

Grade & Purity:

≥97%

Cas Number: 1312790-52-5
Molecular Weight: 100.12
MDL number: MFCD30802631
PubChem CID: 131295062

In stock

Item Number

B628220

Grouped product items
SKU	Size	Availability	Price
B628220-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$327.90
B628220-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$523.90
B628220-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$872.90
B628220-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,571.90

Basic Description

Synonyms	Bicyclo[1.1.1]pentane-1,3-diol \| 1312790-52-5 \| MFCD30802631 \| SB22179 \| AS-83762 \| P18445
Specifications & Purity	≥97%
Shipped In	Normal

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	Tertiary alcohols
Alternative Parents	Cyclic alcohols and derivatives Hydrocarbon derivatives
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Tertiary alcohol - Cyclobutanol - Hydrocarbon derivative - Aliphatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (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

IUPAC Name	bicyclo[1.1.1]pentane-1,3-diol
INCHI	InChI=1S/C5H8O2/c6-4-1-5(7,2-4)3-4/h6-7H,1-3H2
InChIKey	DOJPRLIAPQYYOX-UHFFFAOYSA-N
Smiles	C1C2(CC1(C2)O)O
PubChem CID	131295062
Molecular Weight	100.12

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	100.120 g/mol
XLogP3	-0.800
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	100.052 Da
Monoisotopic Mass	100.052 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	79.200
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration