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1-Hexan-d₁₃-ol - ≥98 atom% D, ≥99% (CP), high purity , CAS No.204244-84-8

COA

Grade & Purity:

≥98 atom% D,≥99%

Cas Number: 204244-84-8
Molecular Weight: 115.25
MDL number: MFCD00144898
PubChem CID: 16212921

In stock

Item Number

H464689

Grouped product items
SKU	Size	Availability	Price
H464689-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$668.90
H464689-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,334.90
H464689-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,141.90

Basic Description

Synonyms	D98840 \| n-hexyl-d13 alcohol \| (~2~H_13_)Hexan-1-ol \| 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecadeuteriohexan-1-ol \| 1-Hexanol-d13 \| 1-Hexan-1,1,2,2,3,3,4,4,5,5,6,6,6-d13-ol(9CI) \| (H)hexan-1-ol \| d13-1-hexanol \| J-013300 \| SCHEMBL1330602 \| DTXSID30583730 \| HY-W03
Specifications & Purity	≥98 atom% D,≥99%
Storage Temp	Store at 2-8°C,Protected from light
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 Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Fatty alcohols

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty alcohols
Intermediate Tree Nodes	Not available
Direct Parent	Fatty alcohols
Alternative Parents	Primary alcohols Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Fatty alcohol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.
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	1,1,2,2,3,3,4,4,5,5,6,6,6-tridecadeuteriohexan-1-ol
INCHI	InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2
InChIKey	ZSIAUFGUXNUGDI-UTBWLCBWSA-N
Smiles	CCCCCCO
Isomeric SMILES	[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])O
Alternate CAS	111-27-3(unlabelled)
UN Number	2282
Molecular Weight	115.25
Reaxy-Rn	969167
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969167&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Light sensitive；Moisture sensitive
Refractive Index	n20/D 1.414 (lit.)
Flash Point(°F)	138.2 °F - closed cup
Flash Point(°C)	59.00 °C - closed cup
Boil Point(°C)	156.5℃ (lit.)
Melt Point(°C)	−52℃ (lit.)
Molecular Weight	115.250 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	115.186 Da
Monoisotopic Mass	115.186 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	27.400
Isotope Atom Count	13
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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