Cas no 10562-68-2 (4-Ethynyl-2,6-dimethyl-4-heptanol)
4-Ethynyl-2,6-dimethyl-4-heptanol is a tertiary alcohol featuring an ethynyl functional group and two methyl substituents on a seven-carbon chain. Its unique structure, combining alkyne and hydroxyl moieties, makes it a versatile intermediate in organic synthesis, particularly for constructing complex molecular frameworks. The compound's sterically hindered alcohol group enhances selectivity in reactions such as nucleophilic substitutions or esterifications. Additionally, the ethynyl group offers reactivity for click chemistry applications, including Huisgen cycloadditions. Its stability under standard conditions and compatibility with various reagents make it suitable for pharmaceutical and materials science research. The compound's defined molecular architecture ensures reproducibility in synthetic pathways.
10562-68-2 structure
Product Name:4-Ethynyl-2,6-dimethyl-4-heptanol
CAS No:10562-68-2
MF:C11H20O
MW:168.275903701782
CID:86445
PubChem ID:7010451
Update Time:2025-06-08
4-Ethynyl-2,6-dimethyl-4-heptanol Chemical and Physical Properties
Names and Identifiers
-
- 4-Ethynyl-2,6-dimethyl-4-heptanol
- Ethynyl diisobutyl carbinol~3-Isobutyl-5-methyl-1-hexyn-3-ol
- 4-ethynyl-2,6-dimethylheptan-4-ol
- 3-Isobutyl-5-methyl-hex-1-in-3-ol
- 3-isobutyl-5-methyl-hex-1-yn-3-ol
- 4-Aethinyl-2,6-dimethyl-heptan-4-ol
- 4-Ethinyl-2,6-dimethylheptan-4-ol
- 4-Heptanol,4-ethynyl-2,6-dimethyl
- HCC-2,6-dimethyl-4-heptanol
- FT-0618432
- DTXSID70426657
- F30189
- 10562-68-2
- 4-Ethynyl-2,6-dimethyl-4-heptanol, AldrichCPR
- SCHEMBL237721
- 4-Ethynyl-2,6-dimethyl-4-heptanol,97%
- CS-0339557
- AKOS024348826
-
- MDL： MFCD00041605
- Inchi： 1S/C11H20O/c1-6-11(12,7-9(2)3)8-10(4)5/h1,9-10,12H,7-8H2,2-5H3
- InChI Key： CSNWKQHTZXPWJS-UHFFFAOYSA-N
- SMILES： OC(C#C)(CC(C)C)CC(C)C
Computed Properties
- Exact Mass: 168.15100
- Monoisotopic Mass: 168.151415257g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 161
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.9
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Color/Form: Not available
- Density: 0.875
- Boiling Point: 83-84°C 18mm
- Flash Point: 83-84°C/18mm
- Refractive Index: 1.4420
- PSA: 20.23000
- LogP: 2.44290
- Solubility: Not available
4-Ethynyl-2,6-dimethyl-4-heptanol Security Information
- Safety Instruction： S24/25
- Safety Term：S24/25
4-Ethynyl-2,6-dimethyl-4-heptanol Customs Data
- HS CODE：2905290000
- Customs Data：
China Customs Code:
2905290000Overview:
2905290000 Other unsaturated monohydric alcohols.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%
Declaration elements:
Product Name, component content, use to, packing
Summary:
2905290000 unsaturated monohydric alcohols.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%
4-Ethynyl-2,6-dimethyl-4-heptanol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| CHENG DOU FEI BO YI YAO Technology Co., Ltd. | FC12541-100g |
4-ethynyl-2,6-dimethylheptan-4-ol |
10562-68-2 | 95% | 100g |
$1500 | 2023-09-07 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | F-OK498-500mg |
4-Ethynyl-2,6-dimethyl-4-heptanol |
10562-68-2 | 97% | 500mg |
￥342.0 | 2022-02-28 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1410227-1g |
4-Ethynyl-2,6-dimethylheptan-4-ol |
10562-68-2 | 98% | 1g |
￥7280.00 | 2024-08-09 | |
| A FA AI SHA ， SAI MO FEI SHI ER KE JI QI XIA GONG SI | L12446-2g |
4-Ethynyl-2,6-dimethyl-4-heptanol, 97% |
10562-68-2 | 97% | 2g |
￥1244.00 | 2023-03-03 | |
| A FA AI SHA ， SAI MO FEI SHI ER KE JI QI XIA GONG SI | L12446-10g |
4-Ethynyl-2,6-dimethyl-4-heptanol, 97% |
10562-68-2 | 97% | 10g |
￥4731.00 | 2023-03-03 |
4-Ethynyl-2,6-dimethyl-4-heptanol Related Literature
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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