Cas no 61827-89-2 (3,9-Dodecadiyne)
3,9-Dodecadiyne is a linear aliphatic diyne compound characterized by its two triple bonds at the 3rd and 9th carbon positions. This high-purity chemical is primarily utilized in organic synthesis and materials science due to its rigid molecular structure, which makes it a valuable building block for conjugated polymers and advanced carbon-based materials. Its symmetrical diyne configuration enables efficient cross-coupling reactions, facilitating the development of tailored molecular architectures. The compound’s stability and well-defined reactivity profile make it suitable for applications in photonics, nanotechnology, and catalysis research. Available in research-grade purity, 3,9-Dodecadiyne is supplied with detailed analytical documentation to ensure reproducibility in experimental workflows.
3,9-Dodecadiyne structure
Product Name:3,9-Dodecadiyne
CAS No:61827-89-2
MF:C12H18
MW:162.271323680878
MDL:MFCD00041637
CID:90133
PubChem ID:87568441
Update Time:2025-06-07
3,9-Dodecadiyne Chemical and Physical Properties
Names and Identifiers
-
- 3,9-Dodecadiyne
- dodeca-3,9-diyne
- ZM 241385
- NS00095851
- 61827-89-2
- 3,9-Dodecadiyne, 97%
- FT-0614790
- D1985
- MFCD00041637
- D89969
- AKOS015842689
- CS-0128387
- DTXSID30210817
- DTXCID60133308
-
- MDL： MFCD00041637
- Inchi： 1S/C12H18/c1-3-5-7-9-11-12-10-8-6-4-2/h3-4,9-12H2,1-2H3
- InChI Key： SLQXYOMUNKJHRV-UHFFFAOYSA-N
- SMILES： C(CC#CCC)CCC#CCC
- BRN： 1698817
Computed Properties
- Exact Mass: 162.14100
- Monoisotopic Mass: 162.141
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 183
- 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: 4.4
- Topological Polar Surface Area: 0A^2
Experimental Properties
- Color/Form: Colorless or yellow liquid.
- Density: 0.809?g/mL?at 25?°C(lit.)
- Melting Point: -9.25°C (estimate)
- Boiling Point: 55-58?°C/0.5?mmHg(lit.)
- Flash Point: 203?°F
- Refractive Index: n20/D 1.465(lit.)
- PSA: 0.00000
- LogP: 3.37360
- Solubility: Not determined
3,9-Dodecadiyne Security Information
-
Symbol:
- Signal Word：Warning
- Hazard Statement： H315-H319-H335
- Warning Statement： P261-P305+P351+P338
- Hazardous Material transportation number：NONH for all modes of transport
- WGK Germany：3
- Hazard Category Code： 36/37/38
- Safety Instruction： S26-S36
-
Hazardous Material Identification：
- Safety Term：S24/25
- Risk Phrases：R36/37/38
3,9-Dodecadiyne Customs Data
- HS CODE：2901299090
- Customs Data：
China Customs Code:
2901299090Overview:
2901299090 Other unsaturated acyclic hydrocarbons.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:2.0%.general tariff:30.0%
Declaration elements:
Product Name, component content, use to, The volume of packaging container used as gaseous fuel shall be reported, Bulk cargo shall be reported
Summary:
2901299090 unsaturated acyclic hydrocarbons.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:2.0%.General tariff:30.0%
3,9-Dodecadiyne Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | D869588-1ml |
3,9-Dodecadiyne |
61827-89-2 | 97% | 1ml |
133.20 | 2021-05-17 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | D1985-5ml |
3,9-Dodecadiyne |
61827-89-2 | 97.0%(GC) | 5ml |
￥480.0 | 2022-05-30 | |
| TRC | D535780-50mg |
3,9-Dodecadiyne |
61827-89-2 | 50mg |
$ 50.00 | 2022-06-05 | ||
| TRC | D535780-100mg |
3,9-Dodecadiyne |
61827-89-2 | 100mg |
$ 65.00 | 2022-06-05 | ||
| TRC | D535780-500mg |
3,9-Dodecadiyne |
61827-89-2 | 500mg |
$ 80.00 | 2022-06-05 | ||
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D155784-1ml |
3,9-Dodecadiyne |
61827-89-2 | >97.0%(GC) | 1ml |
￥79.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D155784-25ml |
3,9-Dodecadiyne |
61827-89-2 | >97.0%(GC) | 25ml |
￥1338.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D155784-5ML |
3,9-Dodecadiyne |
61827-89-2 | >97.0%(GC) | 5ml |
￥316.90 | 2023-09-03 | |
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | D1985-5ML |
3,9-Dodecadiyne |
61827-89-2 | >97.0%(GC) | 5ml |
￥495.00 | 2024-04-16 | |
| abcr | AB178867-25 g |
3,9-Dodecadiyne, 95%; . |
61827-89-2 | 95% | 25 g |
€384.50 | 2023-07-20 |
3,9-Dodecadiyne Related Literature
-
1. Heats of hydrogenation. Part 1.—Dodeca-3:9 and -5:7 diynesT. Flitcroft,H. A. Skinner,M. C. Whiting Trans. Faraday Soc. 1957 53 784
-
2. Informal discussion on experimental thermochemistryGuy Waddington,Lars Bjellerup,H. Mackle,John R. Lacher,S. Sunner,H. A. Skinner,K. J. Ivin Trans. Faraday Soc. 1956 52 1152
-
Devaborniny Parasar,Tharun T. Ponduru,Anurag Noonikara-Poyil,Naleen B. Jayaratna,H. V. Rasika Dias Dalton Trans. 2019 48 15782
-
Devaborniny Parasar,Tharun T. Ponduru,Anurag Noonikara-Poyil,Naleen B. Jayaratna,H. V. Rasika Dias Dalton Trans. 2019 48 15782
-
5. Bond energies in hydrocarbonsH. J. Bernstein Trans. Faraday Soc. 1962 58 2285
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