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3-Octyn-1-ol - >98.0%(GC), high purity , CAS No.14916-80-4

COA

Grade & Purity:

≥98%(GC)

Cas Number: 14916-80-4
Molecular Weight: 126.2
MDL number: MFCD00039552
PubChem CID: 84694

In stock

Item Number

O159921

Grouped product items
SKU	Size	Availability	Price	Qty
O159921-5ml	5ml	2	$47.90
O159921-25ml	25ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$159.90

View related series

alcohol (850) Oxygenated compounds (806)

Basic Description

Synonyms	FT-0616290 \| AI3-07044 \| SY049758 \| O0141 \| MFCD00039552 \| oct-3-yn-1-ol \| 1-Hydroxyoctin-(3) \| DTXSID8065828 \| NSC 67251 \| UNII-PJK55CL7Z5 \| SCHEMBL487757 \| D91816 \| 3-octyne-1-ol \| 3-Octyn-1-ol \| A808855 \| W-108091 \| FS-4073 \| NSC67251 \| NSC-67251 \| PJK
Specifications & Purity	≥98%(GC)
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.
Product Description	3-Octyn-1-ol may be used in the preparation of: · (3Z)-octen-1-ol · 7-octyn-1-ol · 3-cis-octenoic acid

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	oct-3-yn-1-ol
INCHI	InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h9H,2-4,7-8H2,1H3
InChIKey	LRZGRGVRZSDRTK-UHFFFAOYSA-N
Smiles	CCCCC#CCCO
Isomeric SMILES	CCCCC#CCCO
WGK Germany	3
Molecular Weight	126.2
Reaxy-Rn	1739950
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1739950&ln=

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

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

Analytical Chart:

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Lot Number	Certificate Type	Date	Item
E1916110	Certificate of Analysis	Oct 16, 2024	O159921

Chemical and Physical Properties

Refractive Index	1.45
Boil Point(°C)	86-88℃/9mm
Molecular Weight	126.200 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	126.104 Da
Monoisotopic Mass	126.104 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	104.000
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

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