Basic Description

Synonyms	EINECS 203-500-9 \| 3,5-Dimethyl-1-hexyn-3-ol \| UNII-Q988C9BDWK \| 1-HEXYN-3-OL, 3,5-DIMETHYL- \| Surfynol 61 \| dimethylhexynol \| DTXSID6041472 \| 3,5-Dimethylhex-1-yn-3-ol \| dimethyl hexynol \| Surfynol \| Surfynol (VAN) \| Q988C9BDWK \| NSC-978 \| Hexynol, dimet
Specifications & Purity	≥98%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Alpha,beta-unsaturated carbonyl compounds
        Level6 Alpha,beta-unsaturated ketones
        Level7 Ynones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated ketones
Direct Parent	Ynones
Alternative Parents	Tertiary alcohols Acetylides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Ynone - Tertiary alcohol - Acetylide - Hydrocarbon derivative - Alcohol - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as ynones. These are organic compounds containing the ynone functional group, an alpha,beta unsaturated ketone group with the general structure RC#C-C(=O)R' (R' not H).
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	488183426
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488183426
IUPAC Name	3,5-dimethylhex-1-yn-3-ol
INCHI	InChI=1S/C8H14O/c1-5-8(4,9)6-7(2)3/h1,7,9H,6H2,2-4H3
InChIKey	NECRQCBKTGZNMH-UHFFFAOYSA-N
Smiles	CC(C)CC(C)(C#C)O
Isomeric SMILES	CC(C)CC(C)(C#C)O
WGK Germany	3
Molecular Weight	126.2
Reaxy-Rn	1720735
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1720735&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.

27 results found

Lot Number	Certificate Type	Date	Item
C2525653	Certificate of Analysis	Mar 19, 2025	D123205
C2525654	Certificate of Analysis	Mar 19, 2025	D123205
I2425283	Certificate of Analysis	Sep 18, 2024	D123205
I2425282	Certificate of Analysis	Sep 18, 2024	D123205
E2427247	Certificate of Analysis	May 11, 2024	D123205
E2427231	Certificate of Analysis	May 11, 2024	D123205
D2407223	Certificate of Analysis	Mar 09, 2024	D123205
D2407225	Certificate of Analysis	Mar 09, 2024	D123205
B2422119	Certificate of Analysis	Jan 29, 2024	D123205
B2422121	Certificate of Analysis	Jan 29, 2024	D123205
B2422120	Certificate of Analysis	Jan 29, 2024	D123205
H2307446	Certificate of Analysis	Aug 01, 2023	D123205
H2318152	Certificate of Analysis	Aug 01, 2023	D123205
H2307457	Certificate of Analysis	Aug 01, 2023	D123205
B2322488	Certificate of Analysis	Feb 14, 2023	D123205
B2322509	Certificate of Analysis	Feb 14, 2023	D123205
B2322484	Certificate of Analysis	Feb 14, 2023	D123205
L2220222	Certificate of Analysis	Dec 12, 2022	D123205
L2220236	Certificate of Analysis	Dec 12, 2022	D123205
L2220259	Certificate of Analysis	Dec 12, 2022	D123205
G2229333	Certificate of Analysis	Jul 22, 2022	D123205
G2229332	Certificate of Analysis	Jul 22, 2022	D123205
F2214282	Certificate of Analysis	Jun 06, 2022	D123205
F2213259	Certificate of Analysis	Jun 06, 2022	D123205
F2213258	Certificate of Analysis	Jun 06, 2022	D123205
F2223112	Certificate of Analysis	Jun 06, 2022	D123205
A2218040	Certificate of Analysis	Oct 13, 2021	D123205

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Chemical and Physical Properties

Refractive Index	1.434
Flash Point(°F)	111.2 °F
Flash Point(°C)	44℃
Boil Point(°C)	150°C
Molecular Weight	126.200 g/mol
XLogP3	1.600
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	129.000
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Jia-Kai Wu, Kai-Wen Zheng, Xing-Cheng Nie, Huang-Rong Ge, Qiong-Yan Wang, Jun-Ting Xu. (2022) Promoters for Improved Adhesion Strength between Addition-Cured Liquid Silicone Rubber and Low-Melting-Point Thermoplastic Polyurethanes. Materials, 15 (3): (991).

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SKU	Size	Availability	Price
D123205-25ml	25ml	≥10	$24.90
D123205-100ml	100ml	2	$39.90
D123205-500ml	500ml	2	$109.90

3,5-Dimethyl-1-hexyn-3-ol - >98.0%(GC), high purity , CAS No.107-54-0