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2-Heptyl-4-methyl-1，3-dioxolane - ≥99%, high purity , CAS No.74094-61-4

COA

Grade & Purity:

≥99%

Cas Number: 74094-61-4
Molecular Weight: 186.29
PubChem CID: 560109

In stock

Item Number

H769351

Grouped product items
SKU	Size	Availability	Price	Qty
H769351-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,083.90

Basic Description

Specifications & Purity	≥99%
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 Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Meta-dioxolane - Oxacycle - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - 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/C11H22O2/c1-3-4-5-6-7-8-11-12-9-10(2)13-11/h10-11H,3-9H2,1-2H3
InChIKey	PTJICCHLTNPHDB-UHFFFAOYSA-N
Smiles	CCCCCCCC1OCC(O1)C
Isomeric SMILES	CCCCCCCC1OCC(O1)C
Molecular Weight	186.29

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	186.290 g/mol
XLogP3	3.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	186.162 Da
Monoisotopic Mass	186.162 Da
Topological Polar Surface Area	18.500 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	125.000
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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