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1-Hexyn-3-ol - 96%, high purity , CAS No.105-31-7

COA

Grade & Purity:

≥96%

Cas Number: 105-31-7
Molecular Weight: 98.14
EC Number: 203-286-7
MDL number: MFCD00014408
PubChem CID: 7746
PubChem SID: 488180551

In stock

Item Number

H101580

Grouped product items
SKU	Size	Availability	Price
H101580-5ml	5ml	7	$42.90
H101580-25ml	25ml	7	$121.90
H101580-100ml	100ml	4	$437.90

View related series

alcohol (850) Oxygenated compounds (806)

Basic Description

Synonyms	H0141 \| MFCD00014408 \| A1-00337 \| NCGC00357079-01 \| 1-hexine-3-ol \| AKOS009158382 \| A801196 \| DTXSID4051536 \| 4-01-00-02234 (Beilstein Handbook Reference) \| hex-1-yn-3-ol \| 1-Hexyn-3-ol, 90%, technical grade \| FT-0607891 \| (+/-)-3-HYDROXYHEX-1-YNE \| EINEC
Specifications & Purity	≥96%
Shipped In	Normal
Product Description	1-Hexyn-3-ol is a terminal propargylic alcohol. It undergoes microwave-accelerated coupling-isomerization reaction (MACIR) with (hetero)aryl halides to afford the corresponding enone.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Alcohols and polyols

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Alcohols and polyols
Intermediate Tree Nodes	Not available
Direct Parent	Secondary alcohols
Alternative Parents	Acetylides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Secondary alcohol - Acetylide - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
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

Pubchem Sid	488180551
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488180551
IUPAC Name	hex-1-yn-3-ol
INCHI	InChI=1S/C6H10O/c1-3-5-6(7)4-2/h2,6-7H,3,5H2,1H3
InChIKey	LTFTWJYRQNTCHI-UHFFFAOYSA-N
Smiles	CCCC(C#C)O
Isomeric SMILES	CCCC(C#C)O
WGK Germany	3
RTECS	MR0181000
UN Number	2929
Packing Group	I
Molecular Weight	98.14
Reaxy-Rn	1739419
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1739419&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.

6 results found

Lot Number	Certificate Type	Date	Item
D2314149	Certificate of Analysis	Jan 07, 2025	H101580
D2314082	Certificate of Analysis	Jan 07, 2025	H101580
H2206403	Certificate of Analysis	May 07, 2024	H101580
H2211006	Certificate of Analysis	May 07, 2024	H101580
H2206411	Certificate of Analysis	May 07, 2024	H101580
G2213570	Certificate of Analysis	Jul 15, 2022	H101580

Chemical and Physical Properties

Solubility	Soluble in water and miscible with most organic solvents.
Refractive Index	1.431
Flash Point(°F)	116.6 °F
Flash Point(°C)	47 °C
Boil Point(°C)	118°C
Molecular Weight	98.140 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	98.0732 Da
Monoisotopic Mass	98.0732 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	77.400
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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