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(2-methyl-1，3-dioxolan-4-yl)methanol - ≥95%, high purity , CAS No.3773-93-1

COA

Grade & Purity:

≥95%

Cas Number: 3773-93-1
Molecular Weight: 118.1311
MDL number: MFCD25962903
PubChem CID: 95269

In stock

Item Number

M769392

Grouped product items
SKU	Size	Availability	Price	Qty
M769392-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$4,160.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Dioxolanes
    - Subclass 1,3-dioxolanes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Dioxolanes
Subclass	1,3-dioxolanes
Intermediate Tree Nodes	Not available
Direct Parent	1,3-dioxolanes
Alternative Parents	Oxacyclic compounds Acetals Primary alcohols Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Meta-dioxolane - Oxacycle - Acetal - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 1,3-dioxolanes. These are organic compounds containing 1,3-dioxolane, an aliphatic five-member ring with two oxygen atoms in ring positions 1 and 3.
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

INCHI	InChI=1S/C5H10O3/c1-4-7-3-5(2-6)8-4/h4-6H,2-3H2,1H3
InChIKey	ZCYJBTKNPHKPPN-UHFFFAOYSA-N
Smiles	CC1OCC(O1)CO
Isomeric SMILES	CC1OCC(O1)CO
Molecular Weight	118.1311

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

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

Analytical Chart:

Chemical and Physical Properties

Boil Point(°C)	187°C (estimate)
Molecular Weight	118.130 g/mol
XLogP3	-0.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	118.063 Da
Monoisotopic Mass	118.063 Da
Topological Polar Surface Area	38.700 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	74.100
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
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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