Basic Description

Synonyms	AI3-03307 \| CAS-629-11-8 \| H0099 \| .omega.-Hexanediol \| 1,6hexanediol \| 1,6-HEXANEDIOL \| A834086 \| Hexane-1,6-diol \| NCGC00258004-01 \| 1,6-hexandiol \| 1,6-hexan-diol \| HEXAMETHYLENE GLYCOL [MI] \| InChI=1/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H \| EINECS 211-07
Specifications & Purity	≥98%
Storage Temp	Argon charged
Shipped In	Normal

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	primary alcohol - diol
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488181643
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488181643
IUPAC Name	hexane-1,6-diol
INCHI	InChI=1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2
InChIKey	XXMIOPMDWAUFGU-UHFFFAOYSA-N
Smiles	C(CCCO)CCO
Isomeric SMILES	C(CCCO)CCO
WGK Germany	1
RTECS	MO2100000
Molecular Weight	118.17
Beilstein	1633461
Reaxy-Rn	1633461
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1633461&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

19 results found

Lot Number	Certificate Type	Date	Item
K2422269	Certificate of Analysis	Nov 14, 2024	H103708
K2422271	Certificate of Analysis	Nov 14, 2024	H103708
K2422272	Certificate of Analysis	Nov 14, 2024	H103708
K2422268	Certificate of Analysis	Nov 14, 2024	H103708
K2422270	Certificate of Analysis	Nov 14, 2024	H103708
E23301337	Certificate of Analysis	May 19, 2023	H103708
E23301282	Certificate of Analysis	May 19, 2023	H103708
E23301252	Certificate of Analysis	May 19, 2023	H103708
E23301333	Certificate of Analysis	May 19, 2023	H103708
E23301284	Certificate of Analysis	May 19, 2023	H103708
E23301291	Certificate of Analysis	May 19, 2023	H103708
E23301353	Certificate of Analysis	May 19, 2023	H103708
G2201253	Certificate of Analysis	Jun 16, 2022	H103708
G2201258	Certificate of Analysis	Jun 16, 2022	H103708
G2201196	Certificate of Analysis	Jun 16, 2022	H103708
C2311719	Certificate of Analysis	Jun 16, 2022	H103708
C2311720	Certificate of Analysis	Jun 16, 2022	H103708
G2201203	Certificate of Analysis	Jun 16, 2022	H103708
C23311694	Certificate of Analysis	Jun 16, 2022	H103708

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Chemical and Physical Properties

Solubility	Soluble in water.
Sensitivity	Hygroscopic.
Refractive Index	1.4579
Flash Point(°F)	101.7℃
Flash Point(°C)	101.7℃
Boil Point(°C)	208°C
Melt Point(°C)	42.8°C
Molecular Weight	118.170 g/mol
XLogP3	0.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	118.099 Da
Monoisotopic Mass	118.099 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	31.500
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

Alternative Products

Citations of This Product

How to Cite Aladdin Scientific Products?

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SKU	Size	Availability	Price
H103708-100g	100g	3	$10.90
H103708-250g	250g	4	$19.90
H103708-500g	500g	4	$30.90

1,6-Hexanediol - 98%, high purity , CAS No.629-11-8