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2,5-Dimethyl-3-hexyne-2,5-diol - 99%, high purity , CAS No.142-30-3

COA

Grade & Purity:

≥99%

Cas Number: 142-30-3
Molecular Weight: 142.2
Beilstein Registry Number: 1501
EC Number: 205-533-4
MDL number: MFCD00004468
PubChem CID: 8883
PubChem SID: 488180900

In stock

Item Number

D102199

Grouped product items
SKU	Size	Availability	Price
D102199-25g	25g	8	$19.90
D102199-100g	100g	3	$30.90
D102199-250g	250g	3	$55.90
D102199-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$100.90

View related series

alcohol (850) Non heterocyclic block (8163)

Basic Description

Synonyms	EN300-98457 \| NSC117261 \| NSC-117261 \| D 43 (VAN) \| J-660009 \| A807887 \| NSC 117261 \| 2,5-Dimethyl-3-hexyne-2,5-diol, 98% \| CAS-142-30-3 \| STK709213 \| 2,5-Dimethylhexyne-2,5-diol \| 3-Hexyne-2,5-diol, 2,5-dimethyl- \| D0738 \| 2,5-DIMETHYL-3-HEXYNE-2,5-DIOL
Specifications & Purity	≥99%
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 Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Ynone - Tertiary alcohol - 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	488180900
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488180900
IUPAC Name	2,5-dimethylhex-3-yne-2,5-diol
INCHI	InChI=1S/C8H14O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,1-4H3
InChIKey	IHJUECRFYCQBMW-UHFFFAOYSA-N
Smiles	CC(C)(C#CC(C)(C)O)O
Isomeric SMILES	CC(C)(C#CC(C)(C)O)O
WGK Germany	3
RTECS	MR0176000
Molecular Weight	142.2
Beilstein	1501
Reaxy-Rn	969835
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969835&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.

10 results found

Lot Number	Certificate Type	Date	Item
C23311517	Certificate of Analysis	Jan 17, 2025	D102199
I2215171	Certificate of Analysis	Jun 14, 2024	D102199
I2215065	Certificate of Analysis	Jun 14, 2024	D102199
I2215172	Certificate of Analysis	Jun 14, 2024	D102199
I2215173	Certificate of Analysis	Jun 14, 2024	D102199
I2215400	Certificate of Analysis	Jun 14, 2024	D102199
G2412130	Certificate of Analysis	Apr 28, 2024	D102199
G2412203	Certificate of Analysis	Apr 28, 2024	D102199
G2412204	Certificate of Analysis	Apr 28, 2024	D102199
C1407034	Certificate of Analysis	Jan 24, 2022	D102199

Chemical and Physical Properties

Solubility	Soluble in Methanol
Flash Point(°F)	215°F
Flash Point(°C)	102°C
Boil Point(°C)	206 °C
Melt Point(°C)	95°C
Molecular Weight	142.200 g/mol
XLogP3	0.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	142.099 Da
Monoisotopic Mass	142.099 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	160.000
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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