Cas no 598-23-2 (3-Methyl-1-butyne)
3-Methyl-1-butyne (CAS 598-23-2) is a terminal alkyne with the molecular formula C5H8. This colorless, volatile liquid is characterized by its triple bond at the terminal carbon, making it a valuable building block in organic synthesis. Its structure features a methyl group at the 3-position, which influences its reactivity in selective transformations. The compound is particularly useful in Sonogashira coupling reactions, metal-alkyne complex formation, and as a precursor for pharmaceuticals and specialty chemicals. Its relatively low boiling point (38-40°C) facilitates easy handling and purification. The terminal alkyne functionality enables efficient click chemistry applications, while the branched structure contributes to steric effects in reaction pathways. Proper handling requires attention to its flammability and potential peroxide formation.
3-Methyl-1-butyne structure
Product Name:3-Methyl-1-butyne
CAS No:598-23-2
MF:C5H8
MW:68.1170215606689
MDL:MFCD00039853
CID:385495
PubChem ID:329765007
Update Time:2025-07-02
3-Methyl-1-butyne Chemical and Physical Properties
Names and Identifiers
-
- 1-Butyne,3-methyl- (6CI,7CI,8CI,9CI)
- 3-Methyl-1-butyne
- 3-methylbut-1-yne
- 1-Isopentyne
- 2-Methyl-3-butyne
- 3,3-Dimethyl-1-propyne
- Isopropylacetylene
- Isopropylethyne
- 1-Butyne, 3-methyl-
- Isopentyne
- Isopropyl acetylene
- 3-Methylbutyne
- USCSRAJGJYMJFZ-UHFFFAOYSA-N
- 3-methyl-but-1-yne
- 3-METHYL,1-BUTYNE
- (CH3)2CHC.$.CH
- AB1003686
- ST45021441
- 1-Butyne,3-methyl-
- JG5EYU99C4
- InChI=1/C5H8/c1-4-5(2)3/h1,5H,2-3H
- Q27159572
- EINECS 209-925-6
- MFCD00039853
- EN300-104113
- AKOS006237675
- 3-Methyl-1-butyne, 95%
- 598-23-2
- CHEBI:87379
- BOC-D-aminobutyric acid
- DTXSID40208528
- NS00043248
- UNII-JG5EYU99C4
- DTXCID90131019
- DTXSID10205423
-
- MDL： MFCD00039853
- Inchi： 1S/C5H8/c1-4-5(2)3/h1,5H,2-3H3
- InChI Key： USCSRAJGJYMJFZ-UHFFFAOYSA-N
- SMILES： C(C#C)(C)C
Computed Properties
- Exact Mass: 68.06260
- Monoisotopic Mass: 68.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 5
- Rotatable Bond Count: 0
- Complexity: 51.7
- 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: 1.7
- Topological Polar Surface Area: 0
Experimental Properties
- Color/Form: colorless liquid
- Density: 0.666?g/mL?at 25?°C(lit.)
- Melting Point: -89.7°C
- Boiling Point: 29,5°C
- Flash Point: Fahrenheit: -22 ° f
Celsius: -30 ° c - Refractive Index: n20/D 1.374
- Water Partition Coefficient: Miscible with alcohol. Immiscible with water.
- PSA: 0.00000
- LogP: 1.27560
- Solubility: Insoluble in water, soluble in ether and ethanol.
3-Methyl-1-butyne Security Information
-
Symbol:
- Signal Word：Danger
- Hazard Statement： H224
- Warning Statement： P210
- Hazardous Material transportation number：3295
- WGK Germany：3
- Hazard Category Code： 12
- Safety Instruction： 3/7-9-16-33
- RTECS：SJ6069000
-
Hazardous Material Identification：
- HazardClass：3.1
- PackingGroup：II
- Storage Condition：2-8°C
- Safety Term：3.1
- Packing Group：II
- Risk Phrases：R11
- Packing Group：II
- Hazard Level：3.1
3-Methyl-1-butyne Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 745723-5G |
3-Methyl-1-butyne |
598-23-2 | 5g |
￥1638.97 | 2023-11-25 | ||
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 745723-25G |
3-Methyl-1-butyne |
598-23-2 | 25g |
￥3341.91 | 2023-11-25 | ||
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | M849481-5g |
3-Methyl-1-butyne |
598-23-2 | 97% | 5g |
1,826.00 | 2021-05-17 | |
| TRC | M295070-1g |
3-Methyl-1-butyne |
598-23-2 | 1g |
$ 120.00 | 2022-06-04 | ||
| TRC | M295070-5g |
3-Methyl-1-butyne |
598-23-2 | 5g |
$ 305.00 | 2022-06-04 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | M87160-1g |
3-methyl-1-butyne |
598-23-2 | 97% | 1g |
￥418.0 | 2024-07-15 | |
| A FA AI SHA ， SAI MO FEI SHI ER KE JI QI XIA GONG SI | H53439-5g |
3-Methyl-1-butyne, 96% |
598-23-2 | 96% | 5g |
￥1516.00 | 2023-04-13 | |
| A FA AI SHA ， SAI MO FEI SHI ER KE JI QI XIA GONG SI | H53439-25g |
3-Methyl-1-butyne, 96% |
598-23-2 | 96% | 25g |
￥6611.00 | 2023-04-13 | |
| abcr | AB355549-5 g |
3-Methyl-1-butyne, 96%; . |
598-23-2 | 96% | 5 g |
€95.60 | 2023-07-19 | |
| abcr | AB355549-25 g |
3-Methyl-1-butyne, 96%; . |
598-23-2 | 96% | 25 g |
€406.00 | 2023-07-19 |
3-Methyl-1-butyne Suppliers
Amadis Chemical Company Limited
Gold Member
Audited Supplier
(CAS:598-23-2)3-Methyl-1-butyne
Order Number:A832487
Stock Status:in Stock
Quantity:10g/10ml
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 15:28
Price ($):571.0/299.0
Email:[email protected]
3-Methyl-1-butyne Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Weixuan Zeng,Ouissam El Bakouri,Henrik Ottosson Chem. Sci., 2021,12, 6159-6171
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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5. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
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Recommended suppliers
Amadis Chemical Company Limited
(CAS:598-23-2)3-Methyl-1-butyne
Purity:99%/99%
Quantity:10g/10ml
Price ($):571.0/299.0