1,5,9-环十二碳三烯（CAS 4904-61-4）：分子式 C12H18、分子量 162.27。
| CAS号 | 4904-61-4 |
|---|---|
| 分子式 | C12H18 |
| 分子量 | 162.27 |
| 熔点 | -0.4 °F (USCG, 1999) |
| 沸点 | 447.8 °F at 760 mmHg (USCG, 1999) |
| LogP | 4.5 |
| 应用领域 | Uses: Used to make other chemicals、[CAMEO] Used in construction materials、fillers、insulation、intermediates、styren-butadiene rubbers、and thermoplastic polymers、[European Chemicals Bureau]、Cyclododecatriene is an important precursor in organic chemistry.、Feedstock for the manufacturing of C12-polyamides、dodecanoic acid、and flame retardants.、Methods of Manufacturing: 1、5、9-Cyclododecatriene is produced by the cyclotrimerization of butadiene in the presence of catalysts based on titanium、chromium、or nickel. The catalysts are prepared by reducing an appropriate salt in a hydrocarbon solvent with an aluminum alkyl. Titanium catalysts produce predominantly the cis、trans、trans isomer、whereas nickel and chromium catalysts provide the all-trans isomer. In general、the yield of cyclododecatriene is greater than 80% with some dimerization byproducts and butadiene oligomers. Before distillation of the reaction product、the catalyst must be deactivated、generally by an aqueous caustic wash.、U.S. Production: 1、9-Cyclododecatriene is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and、or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B、51FR21438).、Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#6019]、Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#6020]、General Manufacturing Information: 1、9-Cyclododecatriene: ACTIVE、The two main isomers、cis、trans- and all trans-1、9-cyclododecatriene ... are generally characterized by their tendency to form complexes with transition metals and to undergo transannular reactions and isomerization.、... Stabilized with 30-50 mg、L p-tert-butylalcohol in order to prevent the formation of peroxides |
登记用途：Uses: Used to make other chemicals、[CAMEO] Used in construction materials、fillers、insulation、intermediates、styren-butadiene rubbers、and thermoplastic polymers、[European Chemicals Bureau]、Cyclododecatriene is an important precursor in organic chemistry.、Feedstock for the manufacturing of C12-polyamides、dodecanoic acid、and flame retardants.、Methods of Manufacturing: 1、5、9-Cyclododecatriene is produced by the cyclotrimerization of butadiene in the presence of catalysts based on titanium、chromium、or nickel. The catalysts are prepared by reducing an appropriate salt in a hydrocarbon solvent with an aluminum alkyl. Titanium catalysts produce predominantly the cis、trans、trans isomer、whereas nickel and chromium catalysts provide the all-trans isomer. In general、the yield of cyclododecatriene is greater than 80% with some dimerization byproducts and butadiene oligomers. Before distillation of the reaction product、the catalyst must be deactivated、generally by an aqueous caustic wash.、U.S. Production: 1、9-Cyclododecatriene is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and、or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B、51FR21438).、Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#6019]、Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#6020]、General Manufacturing Information: 1、9-Cyclododecatriene: ACTIVE、The two main isomers、cis、trans- and all trans-1、9-cyclododecatriene ... are generally characterized by their tendency to form complexes with transition metals and to undergo transannular reactions and isomerization.、... Stabilized with 30-50 mg、L p-tert-butylalcohol in order to prevent the formation of peroxides。
1,5,9-环十二碳三烯 是一种化工化合物，登记 CAS 号为 4904-61-4，分子式 C12H18（分子量 162.27）。
登记 CAS 号：4904-61-4
其分子式 C12H18 由 12 个碳、18 个氢 组成。
别名/同义词：1,5,9-环十二碳三烯 · 1,5,9-cyclododecatriene
1,5,9-环十二碳三烯 的 CAS 登记号为 4904-61-4。
分子式 C12H18，分子量 162.27。
别名/同义词：1,5,9-环十二碳三烯、1,5,9-cyclododecatriene。
登记用途：Uses: Used to make other chemicals、[CAMEO] Used in construction materials、fillers、insulation、intermediates、styren-butadiene rubbers、and thermoplastic polymers、[European Chemicals Bureau]、Cyclododecatriene is an important precursor in organic chemistry.、Feedstock for the manufacturing of C12-polyamides、dodecanoic acid、and flame retardants.、Methods of Manufacturing: 1、5、9-Cyclododecatriene is produced by the cyclotrimerization of butadiene in the presence of catalysts based on titanium、chromium、or nickel. The catalysts are prepared by reducing an appropriate salt in a hydrocarbon solvent with an aluminum alkyl. Titanium catalysts produce predominantly the cis、trans、trans isomer、whereas nickel and chromium catalysts provide the all-trans isomer. In general、the yield of cyclododecatriene is greater than 80% with some dimerization byproducts and butadiene oligomers. Before distillation of the reaction product、the catalyst must be deactivated、generally by an aqueous caustic wash.、U.S. Production: 1、9-Cyclododecatriene is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and、or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B、51FR21438).、Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#6019]、Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#6020]、General Manufacturing Information: 1、9-Cyclododecatriene: ACTIVE、The two main isomers、cis、trans- and all trans-1、9-cyclododecatriene ... are generally characterized by their tendency to form complexes with transition metals and to undergo transannular reactions and isomerization.、... Stabilized with 30-50 mg、L p-tert-butylalcohol in order to prevent the formation of peroxides。
1,5,9-环十二碳三烯（CAS 4904-61-4）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 4904-61-4 |
|---|---|
| PubChem CID | 12668 |
| Molecular formula | C12H18 |
| IUPAC name | cyclododeca-1,5,9-triene |
| UNII (FDA) | 6Q5S1IRJ4Q |
| Molecular Weight | 162.27 |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 162.140850574 |
| Monoisotopic Mass | 162.140850574 |
| Topological Polar Surface Area | 0 |
| Heavy Atom Count | 12 |
| Boiling Point | 447.8 °F at 760 mmHg (USCG, 1999) |
|---|---|
| Boiling Point | 240 °C at 101.3 kPa |
| Melting Point | -0.4 °F (USCG, 1999) |
| Melting Point | -17 °C |
| Flash Point | 160 °F (USCG, 1999) |
| Flash Point | 71 °C |
| Flash Point | 88 °C closed cup |
| Density | 0.89 at 20 °C/20 °C |
| Density | Density: 0.84 g/cu cm at 100 °C |
| Vapor Pressure | 0.08 [mmHg] |
cyclododeca-1,5,9-triene; 1,5,9-CYCLODODECATRIENE; 4904-61-4; DTXSID8027581; 6Q5S1IRJ4Q; DTXCID5065308; NSC-72433; c-CDDT; RefChem:417080; 225-533-8; UNII-PG450K437C; MFCD00063609; NCIOpen2_000351; SCHEMBL80406; SCHEMBL1112352; SCHEMBL1540885
| Reported hazard statements | H304 (100%), H400 (96.5%), H410 (100%), H227 |
|---|
H304 (100%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
H400 (96.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
1,5,9-cyclododecatriene · CAS 4904-61-4 · C12H18. UNII 6Q5S1IRJ4Q. Boiling Point: 447.8 °F at 760 mmHg (USCG, 1999); Boiling Point: 240 °C at 101.3 kPa; Melting Point: -0.4 °F (USCG, 1999).
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 1,5,9-cyclododecatriene