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2-heptyl-4-methyl-1，3-dioxane - ≥95%, high purity , CAS No.3271-56-5

COA

Grade & Purity:

≥95%

Cas Number: 3271-56-5
Molecular Weight: 200.3178
MDL number: MFCD32195696
PubChem CID: 229664

In stock

Item Number

H769143

Grouped product items
SKU	Size	Availability	Price	Qty
H769143-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$345.90

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 Dioxanes
    - Subclass 1,3-dioxanes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Dioxanes
Subclass	1,3-dioxanes
Intermediate Tree Nodes	Not available
Direct Parent	1,3-dioxanes
Alternative Parents	Oxacyclic compounds Acetals Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Meta-dioxane - 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-dioxanes. These are organic compounds containing 1,3-dioxane, an aliphatic six-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/C12H24O2/c1-3-4-5-6-7-8-12-13-10-9-11(2)14-12/h11-12H,3-10H2,1-2H3
InChIKey	AZUIOWXOJBTWPR-UHFFFAOYSA-N
Smiles	CCCCCCCC1OCCC(O1)C
Isomeric SMILES	CCCCCCCC1OCCC(O1)C
Molecular Weight	200.3178

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

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

Analytical Chart:

Chemical and Physical Properties

Flash Point(°C)	93.6 °C
Boil Point(°C)	243.1°C at 760 mmHg
Molecular Weight	200.320 g/mol
XLogP3	4.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	200.178 Da
Monoisotopic Mass	200.178 Da
Topological Polar Surface Area	18.500 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	136.000
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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